N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine

C14H30N2 — CID 103070963

IUPACN-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
SMILESC=C(CNC)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C14H30N2/c1-7-14(8-2)16(10-12(3)4)11-13(5)9-15-6/h12,14-15H,5,7-11H2,1-4,6H3
InChIKeyQHGVPXWMMVSBPQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.91
Rot. Bonds9

About N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine

N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine (PubChem CID 103070963) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
PubChem CID103070963
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
SMILESC=C(CNC)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C14H30N2/c1-7-14(8-2)16(10-12(3)4)11-13(5)9-15-6/h12,14-15H,5,7-11H2,1-4,6H3
InChIKeyQHGVPXWMMVSBPQ-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
CID 103070964
N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070056
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N-cyclopropyl-N'-methyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070023
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate
CID 79483387
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79490766
N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069188
N-(3-aminopropyl)-N-methyl-2-[2-methylpropyl(pentan-3-yl)amino]acetamide
CID 79483679

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine (CID 103070963) is N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine is C=C(CNC)CN(CC(C)C)C(CC)CC.
What is the InChIKey of N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine?
The InChIKey is QHGVPXWMMVSBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-14(8-2)16(10-12(3)4)11-13(5)9-15-6/h12,14-15H,5,7-11H2,1-4,6H3.
What are the key properties of N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine?
N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine is sourced from PubChem (CID 103070963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).