N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

C15H28N4 — CID 114545027

IUPACN-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)NC1CCC(C)(C)C1
InChIInChI=1S/C15H28N4/c1-4-7-19-11-17-10-14(19)13(9-16)18-12-5-6-15(2,3)8-12/h10-13,18H,4-9,16H2,1-3H3
InChIKeyHZICMFROLBRQRF-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.46
Rot. Bonds6

About N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 114545027) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID114545027
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)NC1CCC(C)(C)C1
InChIInChI=1S/C15H28N4/c1-4-7-19-11-17-10-14(19)13(9-16)18-12-5-6-15(2,3)8-12/h10-13,18H,4-9,16H2,1-3H3
InChIKeyHZICMFROLBRQRF-UHFFFAOYSA-N
XLogP2.46
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 114545027) is N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is HZICMFROLBRQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-7-19-11-17-10-14(19)13(9-16)18-12-5-6-15(2,3)8-12/h10-13,18H,4-9,16H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114545027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).