N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine

C10H22N2 — CID 61387224

IUPACN'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CC1CC1
InChIInChI=1S/C10H22N2/c1-3-6-11-7-8-12(2)9-10-4-5-10/h10-11H,3-9H2,1-2H3
InChIKeyIKUVUCWPZBSZRK-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds7

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

N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 61387224) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID61387224
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CC1CC1
InChIInChI=1S/C10H22N2/c1-3-6-11-7-8-12(2)9-10-4-5-10/h10-11H,3-9H2,1-2H3
InChIKeyIKUVUCWPZBSZRK-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
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

N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 63655720
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 55248488
N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine
CID 62561272

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine (CID 61387224) is N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is IKUVUCWPZBSZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-6-11-7-8-12(2)9-10-4-5-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 61387224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).