1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine

C12H26N2O — CID 62088069

IUPAC1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNC1CCCC1OC
InChIInChI=1S/C12H26N2O/c1-4-9(2)10(13)8-14-11-6-5-7-12(11)15-3/h9-12,14H,4-8,13H2,1-3H3
InChIKeyUNWMSUIUFKTFLK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.52
Rot. Bonds6

About 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine

1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine (PubChem CID 62088069) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine
PubChem CID62088069
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNC1CCCC1OC
InChIInChI=1S/C12H26N2O/c1-4-9(2)10(13)8-14-11-6-5-7-12(11)15-3/h9-12,14H,4-8,13H2,1-3H3
InChIKeyUNWMSUIUFKTFLK-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
(2R)-1-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 106932046
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine
CID 62088427
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855
N-butan-2-yl-2-methoxycyclopentan-1-amine
CID 62089078
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
N'-(2-methoxycyclopentyl)-2-methylbutane-1,4-diamine
CID 81080842
1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 55033366
cis-(1R,2S)-2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 94347863
2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 62088372
N-butan-2-yl-2-[(2-methoxycyclopentyl)amino]acetamide
CID 62087337

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine (CID 62088069) is 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine is CCC(C)C(N)CNC1CCCC1OC.
What is the InChIKey of 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine?
The InChIKey is UNWMSUIUFKTFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-9(2)10(13)8-14-11-6-5-7-12(11)15-3/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine?
1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 62088069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).