2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine

C14H31N3 — CID 79303527

IUPAC2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)N(C)CC1CCCN1C
InChIInChI=1S/C14H31N3/c1-12(2)9-14(3,11-15)17(5)10-13-7-6-8-16(13)4/h12-13H,6-11,15H2,1-5H3
InChIKeyBBFUTVCPKKIEPS-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds6

About 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine

2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine (PubChem CID 79303527) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine
PubChem CID79303527
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)N(C)CC1CCCN1C
InChIInChI=1S/C14H31N3/c1-12(2)9-14(3,11-15)17(5)10-13-7-6-8-16(13)4/h12-13H,6-11,15H2,1-5H3
InChIKeyBBFUTVCPKKIEPS-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79303319
2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
CID 63879427
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
CID 104682305
2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 81005238
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 79319228
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 66565691
3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 114357451
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107

Frequently Asked Questions

What is the IUPAC name of 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine (CID 79303527) is 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine is CC(C)CC(C)(CN)N(C)CC1CCCN1C.
What is the InChIKey of 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine?
The InChIKey is BBFUTVCPKKIEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)9-14(3,11-15)17(5)10-13-7-6-8-16(13)4/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine?
2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 79303527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).