1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine

C30H48N6 — CID 66614650

IUPAC1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)C(C=C)C1N(C(C=C)N(CC=C)CC=C)CNCN1[C@@H](C=C)N(CC=C)CC=C
InChIInChI=1S/C30H48N6/c1-10-19-32(20-11-2)27(16-7)30-35(28(17-8)33(21-12-3)22-13-4)25-31-26-36(30)29(18-9)34(23-14-5)24-15-6/h10-18,27-31H,1-9,19-26H2/t27?,28-,29?,30?/m0/s1
InChIKeyGJQOMSXJRBXEEY-WJKUOXBKSA-N
MW492.76 g/mol
LogP4.04
Rot. Bonds21

About 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine

1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine (PubChem CID 66614650) has the molecular formula C30H48N6 and a molecular weight of 492.76 g/mol. Its IUPAC name is 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine
PubChem CID66614650
Molecular FormulaC30H48N6
Molecular Weight492.76 g/mol
Exact Mass492.39
IUPAC Name1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)C(C=C)C1N(C(C=C)N(CC=C)CC=C)CNCN1[C@@H](C=C)N(CC=C)CC=C
InChIInChI=1S/C30H48N6/c1-10-19-32(20-11-2)27(16-7)30-35(28(17-8)33(21-12-3)22-13-4)25-31-26-36(30)29(18-9)34(23-14-5)24-15-6/h10-18,27-31H,1-9,19-26H2/t27?,28-,29?,30?/m0/s1
InChIKeyGJQOMSXJRBXEEY-WJKUOXBKSA-N
XLogP4.04
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.76
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine (CID 66614650) is 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine is C=CCN(CC=C)C(C=C)C1N(C(C=C)N(CC=C)CC=C)CNCN1[C@@H](C=C)N(CC=C)CC=C.
What is the InChIKey of 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The InChIKey is GJQOMSXJRBXEEY-WJKUOXBKSA-N. The full InChI is InChI=1S/C30H48N6/c1-10-19-32(20-11-2)27(16-7)30-35(28(17-8)33(21-12-3)22-13-4)25-31-26-36(30)29(18-9)34(23-14-5)24-15-6/h10-18,27-31H,1-9,19-26H2/t27?,28-,29?,30?/m0/s1.
What are the key properties of 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine has a molecular weight of 492.76 g/mol, XLogP of 4.04, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S)-1-[bis(prop-2-enyl)amino]prop-2-enyl]-3-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-1,3,5-triazinan-2-yl]-N,N-bis(prop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 66614650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).