7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride

C13H27ClN2O — CID 119784610

IUPAC7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride
SMILESCCN(CC1CC1)C(=O)CCCCCCN.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-2-15(11-12-8-9-12)13(16)7-5-3-4-6-10-14;/h12H,2-11,14H2,1H3;1H
InChIKeyICBHDGJMLJGMCE-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.58
Rot. Bonds9

About 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride

7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride (PubChem CID 119784610) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride
PubChem CID119784610
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride
SMILESCCN(CC1CC1)C(=O)CCCCCCN.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-2-15(11-12-8-9-12)13(16)7-5-3-4-6-10-14;/h12H,2-11,14H2,1H3;1H
InChIKeyICBHDGJMLJGMCE-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.58
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-(cyclopropylmethyl)-N-ethyl-5-hydroxypentanamide
CID 79209482
3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63956164
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
CID 119891435
6-amino-N-ethyl-N-(2-hydroxyethyl)hexanamide
CID 60944687
6-amino-N-ethyl-N-(2-methylprop-2-enyl)hexanamide
CID 24701503
4-amino-N-(cyclopropylmethyl)-N-methylbutanamide
CID 60946266
7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
CID 102993033
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide
CID 115761109
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride (CID 119784610) is 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride is CCN(CC1CC1)C(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride?
The InChIKey is ICBHDGJMLJGMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-2-15(11-12-8-9-12)13(16)7-5-3-4-6-10-14;/h12H,2-11,14H2,1H3;1H.
What are the key properties of 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride?
7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride is sourced from PubChem (CID 119784610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).