N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine

C11H24N2 — CID 115203257

IUPACN'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNCC1CCCC1
InChIInChI=1S/C11H24N2/c1-10(8-12)6-7-13-9-11-4-2-3-5-11/h10-11,13H,2-9,12H2,1H3
InChIKeyAXABISNJOGCMOZ-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.75
Rot. Bonds6

About N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine

N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine (PubChem CID 115203257) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
PubChem CID115203257
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNCC1CCCC1
InChIInChI=1S/C11H24N2/c1-10(8-12)6-7-13-9-11-4-2-3-5-11/h10-11,13H,2-9,12H2,1H3
InChIKeyAXABISNJOGCMOZ-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
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)-3-methylbutan-1-amine
CID 43317373
4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
1-N-(cyclopropylmethyl)butane-1,3-diamine
CID 61151017
N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
CID 89099495
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
1-(cyclohexylmethylamino)pentan-3-ol
CID 115757169
4-chloro-N-(cyclopentylmethyl)pentan-1-amine
CID 106122016
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070
N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099
2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
CID 115203437
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine (CID 115203257) is N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine is CC(CN)CCNCC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine?
The InChIKey is AXABISNJOGCMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(8-12)6-7-13-9-11-4-2-3-5-11/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine?
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 115203257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).