N-butylcyclohexanamine;molecular hydrogen

C10H23N — CID 143047743

IUPACN-butylcyclohexanamine;molecular hydrogen
SMILESCCCCNC1CCCCC1.[H][H]
InChIInChI=1S/C10H21N.H2/c1-2-3-9-11-10-7-5-4-6-8-10;/h10-11H,2-9H2,1H3;1H
InChIKeyOTWKYUXNGATEAM-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.95
Rot. Bonds4

About N-butylcyclohexanamine;molecular hydrogen

N-butylcyclohexanamine;molecular hydrogen (PubChem CID 143047743) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N-butylcyclohexanamine;molecular hydrogen.

Molecular Properties

Compound NameN-butylcyclohexanamine;molecular hydrogen
PubChem CID143047743
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN-butylcyclohexanamine;molecular hydrogen
SMILESCCCCNC1CCCCC1.[H][H]
InChIInChI=1S/C10H21N.H2/c1-2-3-9-11-10-7-5-4-6-8-10;/h10-11H,2-9H2,1H3;1H
InChIKeyOTWKYUXNGATEAM-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.95
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-dodecylcyclohexanamine
CID 3679395
N-butylcyclohexanamine;dimethylarsanyloxy(dimethyl)arsane
CID 174757062
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 142089366
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-butyl-N'-cyclopropylpropane-1,3-diamine
CID 61149641
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483

Frequently Asked Questions

What is the IUPAC name of N-butylcyclohexanamine;molecular hydrogen?
The IUPAC name of N-butylcyclohexanamine;molecular hydrogen (CID 143047743) is N-butylcyclohexanamine;molecular hydrogen.
What is the SMILES notation for N-butylcyclohexanamine;molecular hydrogen?
The canonical SMILES for N-butylcyclohexanamine;molecular hydrogen is CCCCNC1CCCCC1.[H][H].
What is the InChIKey of N-butylcyclohexanamine;molecular hydrogen?
The InChIKey is OTWKYUXNGATEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.H2/c1-2-3-9-11-10-7-5-4-6-8-10;/h10-11H,2-9H2,1H3;1H.
What are the key properties of N-butylcyclohexanamine;molecular hydrogen?
N-butylcyclohexanamine;molecular hydrogen has a molecular weight of 157.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclohexanamine;molecular hydrogen is sourced from PubChem (CID 143047743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).