N-(3-methoxypropyl)cycloheptanamine;hydrochloride

C11H24ClNO — CID 138987767

IUPACN-(3-methoxypropyl)cycloheptanamine;hydrochloride
SMILESCOCCCNC1CCCCCC1.Cl
InChIInChI=1S/C11H23NO.ClH/c1-13-10-6-9-12-11-7-4-2-3-5-8-11;/h11-12H,2-10H2,1H3;1H
InChIKeyRXPJVSKQVVSEMX-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.76
Rot. Bonds5

About N-(3-methoxypropyl)cycloheptanamine;hydrochloride

N-(3-methoxypropyl)cycloheptanamine;hydrochloride (PubChem CID 138987767) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is N-(3-methoxypropyl)cycloheptanamine;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxypropyl)cycloheptanamine;hydrochloride
PubChem CID138987767
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC NameN-(3-methoxypropyl)cycloheptanamine;hydrochloride
SMILESCOCCCNC1CCCCCC1.Cl
InChIInChI=1S/C11H23NO.ClH/c1-13-10-6-9-12-11-7-4-2-3-5-8-11;/h11-12H,2-10H2,1H3;1H
InChIKeyRXPJVSKQVVSEMX-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.76
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
CID 28673224
N-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptanamine
CID 60761888
N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine
CID 103208030
N-(3-Methoxypropyl)-1-hexanamine
CID 28309044
N-(3-methoxypropyl)nonan-1-amine
CID 43153280
N-(3-methoxypropyl)decan-1-amine
CID 60668806
N-(3-methoxypropyl)hexan-3-amine
CID 62119681
N-(2-methoxypropyl)cycloheptanamine
CID 67962135
N-(methoxymethyl)cycloheptanamine
CID 117574614

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)cycloheptanamine;hydrochloride?
The IUPAC name of N-(3-methoxypropyl)cycloheptanamine;hydrochloride (CID 138987767) is N-(3-methoxypropyl)cycloheptanamine;hydrochloride.
What is the SMILES notation for N-(3-methoxypropyl)cycloheptanamine;hydrochloride?
The canonical SMILES for N-(3-methoxypropyl)cycloheptanamine;hydrochloride is COCCCNC1CCCCCC1.Cl.
What is the InChIKey of N-(3-methoxypropyl)cycloheptanamine;hydrochloride?
The InChIKey is RXPJVSKQVVSEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.ClH/c1-13-10-6-9-12-11-7-4-2-3-5-8-11;/h11-12H,2-10H2,1H3;1H.
What are the key properties of N-(3-methoxypropyl)cycloheptanamine;hydrochloride?
N-(3-methoxypropyl)cycloheptanamine;hydrochloride has a molecular weight of 221.77 g/mol, XLogP of 2.76, 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;hydrochloride is sourced from PubChem (CID 138987767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).