4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine

C16H32N2 — CID 79111561

IUPAC4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCCCCC1)C1CCC(N)CC1
InChIInChI=1S/C16H32N2/c1-2-13-18(15-7-5-3-4-6-8-15)16-11-9-14(17)10-12-16/h14-16H,2-13,17H2,1H3
InChIKeyHBIWQWICHCRYHU-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.69
Rot. Bonds4

About 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine

4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79111561) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
PubChem CID79111561
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCCCCC1)C1CCC(N)CC1
InChIInChI=1S/C16H32N2/c1-2-13-18(15-7-5-3-4-6-8-15)16-11-9-14(17)10-12-16/h14-16H,2-13,17H2,1H3
InChIKeyHBIWQWICHCRYHU-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine
CID 79468427
4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
CID 107449541
N-cyclohexyl-N-propylazetidin-3-amine
CID 66183284
N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
CID 79112456
4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111630
N-cycloheptyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232838
N-cyclohexyl-N-octadecylcyclohexanamine
CID 154102011
N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
2-[(4-aminocyclohexyl)-cyclopropylamino]ethanol
CID 79467685
N-(4-aminocyclohexyl)-N-propylcyclobutanecarboxamide
CID 79111722
N,N-dipropylcyclodecanamine
CID 139723962
N-(4-aminocyclohexyl)-N-propylcyclopentanesulfonamide
CID 105361427

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine (CID 79111561) is 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCCCCC1)C1CCC(N)CC1.
What is the InChIKey of 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is HBIWQWICHCRYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-13-18(15-7-5-3-4-6-8-15)16-11-9-14(17)10-12-16/h14-16H,2-13,17H2,1H3.
What are the key properties of 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine?
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).