N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine

C16H35N3 — CID 102997075

IUPACN-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(C)(CC)CNC1CC1
InChIInChI=1S/C16H35N3/c1-6-16(3,13-17-15-9-10-15)14-19(7-2)12-8-11-18(4)5/h15,17H,6-14H2,1-5H3
InChIKeyZZBJDMQHZZGPDU-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds11

About N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine

N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine (PubChem CID 102997075) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine
PubChem CID102997075
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(C)(CC)CNC1CC1
InChIInChI=1S/C16H35N3/c1-6-16(3,13-17-15-9-10-15)14-19(7-2)12-8-11-18(4)5/h15,17H,6-14H2,1-5H3
InChIKeyZZBJDMQHZZGPDU-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol
CID 113469034
N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63493471
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-propylpropane-1,3-diamine
CID 62263465
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropan-1-ol
CID 102998380
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55056542
1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol
CID 79379941
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864351
N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine
CID 102997134
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256737
N-cyclopropyl-2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62259472
N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 102997053

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine (CID 102997075) is N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine is CCN(CCCN(C)C)CC(C)(CC)CNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine?
The InChIKey is ZZBJDMQHZZGPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-16(3,13-17-15-9-10-15)14-19(7-2)12-8-11-18(4)5/h15,17H,6-14H2,1-5H3.
What are the key properties of N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine?
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine is sourced from PubChem (CID 102997075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).