N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine

C17H28N2 — CID 107006435

IUPACN-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESC=CCCCCCNCCCN(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-4-5-6-10-14-18-15-11-16-19(2)17-12-8-7-9-13-17/h3,7-9,12-13,18H,1,4-6,10-11,14-16H2,2H3
InChIKeyQNVMSFCFHDQQBW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.85
Rot. Bonds11

About N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine

N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 107006435) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID107006435
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESC=CCCCCCNCCCN(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-4-5-6-10-14-18-15-11-16-19(2)17-12-8-7-9-13-17/h3,7-9,12-13,18H,1,4-6,10-11,14-16H2,2H3
InChIKeyQNVMSFCFHDQQBW-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
CID 23460287
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773
2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol
CID 81410876
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
CID 61483583
N-oct-7-enylaniline
CID 101291024
ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate
CID 103232573
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine (CID 107006435) is N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine is C=CCCCCCNCCCN(C)c1ccccc1.
What is the InChIKey of N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is QNVMSFCFHDQQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-5-6-10-14-18-15-11-16-19(2)17-12-8-7-9-13-17/h3,7-9,12-13,18H,1,4-6,10-11,14-16H2,2H3.
What are the key properties of N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine?
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 107006435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).