N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine

C18H40N2 — CID 162197438

IUPACN'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCCCCCCCC(C)(C)N(CCC)CCCN
InChIInChI=1S/C18H40N2/c1-5-7-8-9-10-11-12-14-18(3,4)20(16-6-2)17-13-15-19/h5-17,19H2,1-4H3
InChIKeyZRDCWVPQTMKZPB-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.97
Rot. Bonds14

About N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine

N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine (PubChem CID 162197438) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine
PubChem CID162197438
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCCCCCCCC(C)(C)N(CCC)CCCN
InChIInChI=1S/C18H40N2/c1-5-7-8-9-10-11-12-14-18(3,4)20(16-6-2)17-13-15-19/h5-17,19H2,1-4H3
InChIKeyZRDCWVPQTMKZPB-UHFFFAOYSA-N
XLogP4.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N,N-dipentyltetradecan-2-amine
CID 139724044
N,N-diheptyl-2-methylhexadecan-2-amine
CID 139723991
2-methyl-N,N-dioctyloctan-2-amine
CID 139723132
N-hexadecyl-N-(2-methyldodecan-2-yl)hexadecan-1-amine
CID 139722634
N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine
CID 139723218
2-methyl-N,N-dipentyldodecan-2-amine
CID 139723912
N,N-dibutyl-2-methyltridecan-2-amine
CID 139722589
N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine
CID 139722528
3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol
CID 18184043
N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine
CID 139722947
N-(2-methylpentan-2-yl)-N-nonylnonan-1-amine
CID 139723287
2-methyl-N,N-dipentylpentan-2-amine
CID 139722937

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine (CID 162197438) is N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine is CCCCCCCCCC(C)(C)N(CCC)CCCN.
What is the InChIKey of N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is ZRDCWVPQTMKZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-5-7-8-9-10-11-12-14-18(3,4)20(16-6-2)17-13-15-19/h5-17,19H2,1-4H3.
What are the key properties of N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine?
N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.97, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 162197438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).