1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine

C11H24N2O — CID 102571467

IUPAC1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine
SMILESCC(C)OCCCNC1CCCC1N
InChIInChI=1S/C11H24N2O/c1-9(2)14-8-4-7-13-11-6-3-5-10(11)12/h9-11,13H,3-8,12H2,1-2H3
InChIKeyARDDYTTVTDFFBK-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.27
Rot. Bonds6

About 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine

1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine (PubChem CID 102571467) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine
PubChem CID102571467
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine
SMILESCC(C)OCCCNC1CCCC1N
InChIInChI=1S/C11H24N2O/c1-9(2)14-8-4-7-13-11-6-3-5-10(11)12/h9-11,13H,3-8,12H2,1-2H3
InChIKeyARDDYTTVTDFFBK-UHFFFAOYSA-N
XLogP1.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 64774993
2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43183143
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
CID 113383965
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
2-methyl-N-(4-propan-2-yloxybutyl)thian-3-amine
CID 106007631
1-N-(4-propan-2-yloxybutyl)cyclohexane-1,3-diamine
CID 106007565
2-piperidin-2-yl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 79552730
trans-(1R,2R)-2-N-dodecylcyclohexane-1,2-diamine
CID 158355577
trans-(1R,2R)-2-N-hexylcyclohexane-1,2-diamine;dihydrochloride
CID 139240198
(3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol
CID 126846624
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine (CID 102571467) is 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine is CC(C)OCCCNC1CCCC1N.
What is the InChIKey of 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine?
The InChIKey is ARDDYTTVTDFFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)14-8-4-7-13-11-6-3-5-10(11)12/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine?
1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 102571467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).