N-cycloheptylazepan-3-amine

C13H26N2 — CID 82934093

IUPACN-cycloheptylazepan-3-amine
SMILESC1CCCC(NC2CCCCNC2)CC1
InChIInChI=1S/C13H26N2/c1-2-4-8-12(7-3-1)15-13-9-5-6-10-14-11-13/h12-15H,1-11H2
InChIKeySKSMBUYAKVAVBJ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.44
Rot. Bonds2

About N-cycloheptylazepan-3-amine

N-cycloheptylazepan-3-amine (PubChem CID 82934093) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-cycloheptylazepan-3-amine.

Molecular Properties

Compound NameN-cycloheptylazepan-3-amine
PubChem CID82934093
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-cycloheptylazepan-3-amine
SMILESC1CCCC(NC2CCCCNC2)CC1
InChIInChI=1S/C13H26N2/c1-2-4-8-12(7-3-1)15-13-9-5-6-10-14-11-13/h12-15H,1-11H2
InChIKeySKSMBUYAKVAVBJ-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentylazepan-3-amine
CID 82934004
N-cyclopropylcyclododecanamine
CID 16776852
N-cyclohexylcyclohexanamine;2-methylmorpholine
CID 174732220
N-cyclohexylcyclohexanamine;ethane
CID 67925930
3-(sulfamoylamino)azepane
CID 114959363
3-azabicyclo[6.6.6]icosane
CID 91578749
N-piperidin-3-ylpiperidin-1-amine
CID 83006888
N-(1-ethylpyrrolidin-3-yl)piperidin-3-amine
CID 130948313
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79860987
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
5-(cycloheptylamino)piperidin-2-one
CID 63379089

Frequently Asked Questions

What is the IUPAC name of N-cycloheptylazepan-3-amine?
The IUPAC name of N-cycloheptylazepan-3-amine (CID 82934093) is N-cycloheptylazepan-3-amine.
What is the SMILES notation for N-cycloheptylazepan-3-amine?
The canonical SMILES for N-cycloheptylazepan-3-amine is C1CCCC(NC2CCCCNC2)CC1.
What is the InChIKey of N-cycloheptylazepan-3-amine?
The InChIKey is SKSMBUYAKVAVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-4-8-12(7-3-1)15-13-9-5-6-10-14-11-13/h12-15H,1-11H2.
What are the key properties of N-cycloheptylazepan-3-amine?
N-cycloheptylazepan-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylazepan-3-amine is sourced from PubChem (CID 82934093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).