4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine

C18H38N2 — CID 123191621

IUPAC4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)CCC1C(C)C(CC(C)N)CC1N(C)C(C)C
InChIInChI=1S/C18H38N2/c1-12(2)8-9-17-15(6)16(10-14(5)19)11-18(17)20(7)13(3)4/h12-18H,8-11,19H2,1-7H3
InChIKeyUICYMERRGGWEKC-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.14
Rot. Bonds7

About 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine

4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine (PubChem CID 123191621) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine
PubChem CID123191621
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)CCC1C(C)C(CC(C)N)CC1N(C)C(C)C
InChIInChI=1S/C18H38N2/c1-12(2)8-9-17-15(6)16(10-14(5)19)11-18(17)20(7)13(3)4/h12-18H,8-11,19H2,1-7H3
InChIKeyUICYMERRGGWEKC-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine (CID 123191621) is 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine is CC(C)CCC1C(C)C(CC(C)N)CC1N(C)C(C)C.
What is the InChIKey of 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is UICYMERRGGWEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-12(2)8-9-17-15(6)16(10-14(5)19)11-18(17)20(7)13(3)4/h12-18H,8-11,19H2,1-7H3.
What are the key properties of 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine?
4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,3-dimethyl-2-(3-methylbutyl)-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 123191621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).