N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine

C36H63N3 — CID 160608855

IUPACN,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine
SMILESC=CC(C)(C)N(C(C)(C)C=C)C(C)(C)C=C.C=CC(C)N(C(C)C=C)C(C)C=C.C=CCN(CC=C)CC=C
InChIInChI=1S/C15H27N.C12H21N.C9H15N/c1-10-13(4,5)16(14(6,7)11-2)15(8,9)12-3;1-7-10(4)13(11(5)8-2)12(6)9-3;1-4-7-10(8-5-2)9-6-3/h10-12H,1-3H2,4-9H3;7-12H,1-3H2,4-6H3;4-6H,1-3,7-9H2
InChIKeyRFFYBMNKRDYWDX-UHFFFAOYSA-N
MW537.92 g/mol
LogP9.04
Rot. Bonds18

About N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine

N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine (PubChem CID 160608855) has the molecular formula C36H63N3 and a molecular weight of 537.92 g/mol. Its IUPAC name is N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine.

Molecular Properties

Compound NameN,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine
PubChem CID160608855
Molecular FormulaC36H63N3
Molecular Weight537.92 g/mol
Exact Mass537.50
IUPAC NameN,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine
SMILESC=CC(C)(C)N(C(C)(C)C=C)C(C)(C)C=C.C=CC(C)N(C(C)C=C)C(C)C=C.C=CCN(CC=C)CC=C
InChIInChI=1S/C15H27N.C12H21N.C9H15N/c1-10-13(4,5)16(14(6,7)11-2)15(8,9)12-3;1-7-10(4)13(11(5)8-2)12(6)9-3;1-4-7-10(8-5-2)9-6-3/h10-12H,1-3H2,4-9H3;7-12H,1-3H2,4-6H3;4-6H,1-3,7-9H2
InChIKeyRFFYBMNKRDYWDX-UHFFFAOYSA-N
XLogP9.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.92
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine?
The IUPAC name of N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine (CID 160608855) is N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine.
What is the SMILES notation for N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine?
The canonical SMILES for N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine is C=CC(C)(C)N(C(C)(C)C=C)C(C)(C)C=C.C=CC(C)N(C(C)C=C)C(C)C=C.C=CCN(CC=C)CC=C.
What is the InChIKey of N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine?
The InChIKey is RFFYBMNKRDYWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N.C12H21N.C9H15N/c1-10-13(4,5)16(14(6,7)11-2)15(8,9)12-3;1-7-10(4)13(11(5)8-2)12(6)9-3;1-4-7-10(8-5-2)9-6-3/h10-12H,1-3H2,4-9H3;7-12H,1-3H2,4-6H3;4-6H,1-3,7-9H2.
What are the key properties of N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine?
N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine has a molecular weight of 537.92 g/mol, XLogP of 9.04, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(but-3-en-2-yl)but-3-en-2-amine;N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-methyl-N,N-bis(2-methylbut-3-en-2-yl)but-3-en-2-amine is sourced from PubChem (CID 160608855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).