N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine

C12H26N2 — CID 60867853

IUPACN-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCC1CC1)C(C)C
InChIInChI=1S/C12H26N2/c1-4-8-14(11(2)3)9-7-13-10-12-5-6-12/h11-13H,4-10H2,1-3H3
InChIKeyUPRZMTQJQCRETJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds8

About N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine

N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (PubChem CID 60867853) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
PubChem CID60867853
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCC1CC1)C(C)C
InChIInChI=1S/C12H26N2/c1-4-8-14(11(2)3)9-7-13-10-12-5-6-12/h11-13H,4-10H2,1-3H3
InChIKeyUPRZMTQJQCRETJ-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-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

N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 60867492
N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63504271
N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
N-(2-cyclopropylethyl)-N-propan-2-ylpropan-1-amine
CID 91037766
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646
N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378857
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N-[[5-[[propan-2-yl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074978
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 55089415

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (CID 60867853) is N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine is CCCN(CCNCC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The InChIKey is UPRZMTQJQCRETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-8-14(11(2)3)9-7-13-10-12-5-6-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 60867853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).