N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine

C17H35NO — CID 170541781

IUPACN-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
SMILESCCCCN(CCOCCC(C)C)C1CCCCC1
InChIInChI=1S/C17H35NO/c1-4-5-12-18(17-9-7-6-8-10-17)13-15-19-14-11-16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyBZPWNOIEFSLYLF-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.48
Rot. Bonds10

About N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine

N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine (PubChem CID 170541781) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
PubChem CID170541781
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
SMILESCCCCN(CCOCCC(C)C)C1CCCCC1
InChIInChI=1S/C17H35NO/c1-4-5-12-18(17-9-7-6-8-10-17)13-15-19-14-11-16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyBZPWNOIEFSLYLF-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine
CID 102860630
N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
CID 63386914
N-(5-methylhexyl)-N-propylcyclohexanamine
CID 167070487
N-butyl-N-propylcyclohexanamine
CID 15751893
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N-(3-chloropropyl)-N-(2-propoxyethyl)cyclobutanamine
CID 106457906
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
CID 138728540
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
N-(2-chloroethyl)-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 63389719
N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616758
N-(3-pentoxypropyl)-N-propylcyclopropanamine
CID 156795180

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine?
The IUPAC name of N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine (CID 170541781) is N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine.
What is the SMILES notation for N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine?
The canonical SMILES for N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine is CCCCN(CCOCCC(C)C)C1CCCCC1.
What is the InChIKey of N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine?
The InChIKey is BZPWNOIEFSLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-5-12-18(17-9-7-6-8-10-17)13-15-19-14-11-16(2)3/h16-17H,4-15H2,1-3H3.
What are the key properties of N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine?
N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine has a molecular weight of 269.47 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine is sourced from PubChem (CID 170541781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).