N-heptan-2-ylcycloheptanamine

C14H29N — CID 43082272

IUPACN-heptan-2-ylcycloheptanamine
SMILESCCCCCC(C)NC1CCCCCC1
InChIInChI=1S/C14H29N/c1-3-4-7-10-13(2)15-14-11-8-5-6-9-12-14/h13-15H,3-12H2,1-2H3
InChIKeyVXQDGZPDWUTZNJ-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.27
Rot. Bonds6

About N-heptan-2-ylcycloheptanamine

N-heptan-2-ylcycloheptanamine (PubChem CID 43082272) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-heptan-2-ylcycloheptanamine.

Molecular Properties

Compound NameN-heptan-2-ylcycloheptanamine
PubChem CID43082272
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-heptan-2-ylcycloheptanamine
SMILESCCCCCC(C)NC1CCCCCC1
InChIInChI=1S/C14H29N/c1-3-4-7-10-13(2)15-14-11-8-5-6-9-12-14/h13-15H,3-12H2,1-2H3
InChIKeyVXQDGZPDWUTZNJ-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
N-pentan-2-ylcyclooctanamine
CID 43079432
N-(2-methyldodecan-3-yl)cyclohexanamine
CID 150788922
1-N-heptan-2-ylcyclohexane-1,3-diamine
CID 79459220
N-octan-2-ylspiro[4.5]decan-8-amine
CID 114817417
1-ethyl-N-octan-2-ylazepan-4-amine
CID 65073941
1-N'-cycloheptylheptane-1,1-diamine
CID 135361664
[4-(heptan-2-ylamino)cyclohexyl]methanol
CID 103788540
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-ylcycloheptanamine?
The IUPAC name of N-heptan-2-ylcycloheptanamine (CID 43082272) is N-heptan-2-ylcycloheptanamine.
What is the SMILES notation for N-heptan-2-ylcycloheptanamine?
The canonical SMILES for N-heptan-2-ylcycloheptanamine is CCCCCC(C)NC1CCCCCC1.
What is the InChIKey of N-heptan-2-ylcycloheptanamine?
The InChIKey is VXQDGZPDWUTZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-4-7-10-13(2)15-14-11-8-5-6-9-12-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-heptan-2-ylcycloheptanamine?
N-heptan-2-ylcycloheptanamine has a molecular weight of 211.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-ylcycloheptanamine is sourced from PubChem (CID 43082272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).