4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine

C18H36N2 — CID 114763375

IUPAC4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-4-12-19-17-7-9-18(10-8-17)20-13-5-6-16(11-14-20)15(2)3/h15-19H,4-14H2,1-3H3
InChIKeyMYRMQJQBHQYINJ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds5

About 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine

4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine (PubChem CID 114763375) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
PubChem CID114763375
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-4-12-19-17-7-9-18(10-8-17)20-13-5-6-16(11-14-20)15(2)3/h15-19H,4-14H2,1-3H3
InChIKeyMYRMQJQBHQYINJ-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763370
N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
CID 114763376
4-[4-(methoxymethyl)piperidin-1-yl]-N-propylcyclohexan-1-amine
CID 114763353
4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 114763283
1-(1-iodopiperidin-4-yl)-N-propylpiperidin-4-amine
CID 166946144
1-(oxan-4-yl)-N-propylpiperidin-4-amine
CID 43610262
4-(3-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79687379
4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine
CID 79687378
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
3-(4-methyl-1,4-diazepan-1-yl)-N-propylcyclopentan-1-amine
CID 79642937
3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
CID 80561615
4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 107396577

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine (CID 114763375) is 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(N2CCCC(C(C)C)CC2)CC1.
What is the InChIKey of 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine?
The InChIKey is MYRMQJQBHQYINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-12-19-17-7-9-18(10-8-17)20-13-5-6-16(11-14-20)15(2)3/h15-19H,4-14H2,1-3H3.
What are the key properties of 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine?
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 114763375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).