2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine

C14H28N2 — CID 114544780

IUPAC2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
SMILESCCC(CN)(NC1CCC(C)(C)C1)C1CC1
InChIInChI=1S/C14H28N2/c1-4-14(10-15,11-5-6-11)16-12-7-8-13(2,3)9-12/h11-12,16H,4-10,15H2,1-3H3
InChIKeyNGANSKNDDYDADW-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.67
Rot. Bonds5

About 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine

2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine (PubChem CID 114544780) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
PubChem CID114544780
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
SMILESCCC(CN)(NC1CCC(C)(C)C1)C1CC1
InChIInChI=1S/C14H28N2/c1-4-14(10-15,11-5-6-11)16-12-7-8-13(2,3)9-12/h11-12,16H,4-10,15H2,1-3H3
InChIKeyNGANSKNDDYDADW-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-fluorocyclopentan-1-amine
CID 130653998
1-(2-methylcyclopropyl)-N'-propan-2-ylethane-1,2-diamine
CID 57898413
1-{[(Propan-2-yl)amino]methyl}cyclopentan-1-amine
CID 59332815
1-[(2-Methylpropylamino)methyl]cyclopentan-1-amine
CID 61150879
1-(aminomethyl)-N-propan-2-ylcyclopentan-1-amine
CID 62066793
1-(aminomethyl)-N-cyclopropylcyclopentan-1-amine
CID 62071896
N'-(3-methylcyclopentyl)ethane-1,2-diamine
CID 64500888
1-(aminomethyl)-N-cyclopropyl-2-methylcyclopentan-1-amine
CID 65045269
2,2-Dimethyl-5-azaspiro[2.4]heptan-7-amine
CID 68435708
1-(5-azaspiro[2.4]heptan-6-yl)-N-methylmethanamine
CID 69087259
N'-[(1R,3R)-3-methylcyclopentyl]ethane-1,2-diamine
CID 89391971
2-N-(cyclopentylmethyl)propane-1,2-diamine
CID 104394387

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine (CID 114544780) is 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine is CCC(CN)(NC1CCC(C)(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine?
The InChIKey is NGANSKNDDYDADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-14(10-15,11-5-6-11)16-12-7-8-13(2,3)9-12/h11-12,16H,4-10,15H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine?
2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine is sourced from PubChem (CID 114544780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).