1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine

C14H30N2 — CID 62624952

IUPAC1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
SMILESCNC(CCN(C)C1CCCC1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-14(2,3)13(15-4)10-11-16(5)12-8-6-7-9-12/h12-13,15H,6-11H2,1-5H3
InChIKeyFRXSIDYNLMZAHH-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds5

About 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine

1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine (PubChem CID 62624952) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
PubChem CID62624952
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
SMILESCNC(CCN(C)C1CCCC1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-14(2,3)13(15-4)10-11-16(5)12-8-6-7-9-12/h12-13,15H,6-11H2,1-5H3
InChIKeyFRXSIDYNLMZAHH-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine?
The IUPAC name of 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine (CID 62624952) is 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine?
The canonical SMILES for 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine is CNC(CCN(C)C1CCCC1)C(C)(C)C.
What is the InChIKey of 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine?
The InChIKey is FRXSIDYNLMZAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)13(15-4)10-11-16(5)12-8-6-7-9-12/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine?
1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine is sourced from PubChem (CID 62624952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).