N-(3-methoxypropyl)cycloheptanamine

C11H23NO — CID 28673224

IUPACN-(3-methoxypropyl)cycloheptanamine
SMILESCOCCCNC1CCCCCC1
InChIInChI=1S/C11H23NO/c1-13-10-6-9-12-11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyMOCXHHFQYOTIDQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds5

About N-(3-methoxypropyl)cycloheptanamine

N-(3-methoxypropyl)cycloheptanamine (PubChem CID 28673224) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)cycloheptanamine.

Molecular Properties

Compound NameN-(3-methoxypropyl)cycloheptanamine
PubChem CID28673224
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(3-methoxypropyl)cycloheptanamine
SMILESCOCCCNC1CCCCCC1
InChIInChI=1S/C11H23NO/c1-13-10-6-9-12-11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyMOCXHHFQYOTIDQ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-(3-Methoxypropyl)cyclohexanamine
CID 28674201
N-(3-methoxypropyl)cyclohexanamine hydrochloride
CID 138987566
N-(3-methoxypropyl)cycloheptanamine hydrochloride
CID 138987767
N-(3-Methoxypropyl)pentan-1-amine
CID 14806244
N-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptanamine
CID 60761888
N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine
CID 103208030
3-(Cycloheptylamino)propan-1-OL
CID 12687377
N-(3-methoxypropyl)cyclopentanamine
CID 21035088
O-[3-(hexan-2-ylamino)propyl]hydroxylamine
CID 23035671
N-(3-Methoxypropyl)-1-hexanamine
CID 28309044
(3-Methoxypropyl)(pentan-3-yl)amine
CID 28673591

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)cycloheptanamine?
The IUPAC name of N-(3-methoxypropyl)cycloheptanamine (CID 28673224) is N-(3-methoxypropyl)cycloheptanamine.
What is the SMILES notation for N-(3-methoxypropyl)cycloheptanamine?
The canonical SMILES for N-(3-methoxypropyl)cycloheptanamine is COCCCNC1CCCCCC1.
What is the InChIKey of N-(3-methoxypropyl)cycloheptanamine?
The InChIKey is MOCXHHFQYOTIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-13-10-6-9-12-11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(3-methoxypropyl)cycloheptanamine?
N-(3-methoxypropyl)cycloheptanamine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)cycloheptanamine is sourced from PubChem (CID 28673224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).