N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine

C18H35N3 — CID 118539134

IUPACN',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine
SMILESC=CCNCC(CCCN)CCCCN(CC=C)CC=C
InChIInChI=1S/C18H35N3/c1-4-13-20-17-18(11-9-12-19)10-7-8-16-21(14-5-2)15-6-3/h4-6,18,20H,1-3,7-17,19H2
InChIKeyONFSETBJPYVNQV-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.96
Rot. Bonds16

About N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine

N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine (PubChem CID 118539134) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine.

Molecular Properties

Compound NameN',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine
PubChem CID118539134
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine
SMILESC=CCNCC(CCCN)CCCCN(CC=C)CC=C
InChIInChI=1S/C18H35N3/c1-4-13-20-17-18(11-9-12-19)10-7-8-16-21(14-5-2)15-6-3/h4-6,18,20H,1-3,7-17,19H2
InChIKeyONFSETBJPYVNQV-UHFFFAOYSA-N
XLogP2.96
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine?
The IUPAC name of N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine (CID 118539134) is N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine.
What is the SMILES notation for N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine?
The canonical SMILES for N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine is C=CCNCC(CCCN)CCCCN(CC=C)CC=C.
What is the InChIKey of N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine?
The InChIKey is ONFSETBJPYVNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-13-20-17-18(11-9-12-19)10-7-8-16-21(14-5-2)15-6-3/h4-6,18,20H,1-3,7-17,19H2.
What are the key properties of N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine?
N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine has a molecular weight of 293.50 g/mol, XLogP of 2.96, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]octane-1,8-diamine is sourced from PubChem (CID 118539134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).