1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine

C16H34N2 — CID 63471719

IUPAC1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCN(CC)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-5-7-12-18(6-2)16(13-17)10-8-15(9-11-16)14(3)4/h14-15H,5-13,17H2,1-4H3
InChIKeyVJAQDUBISBECFG-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds7

About 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63471719) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63471719
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCN(CC)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-5-7-12-18(6-2)16(13-17)10-8-15(9-11-16)14(3)4/h14-15H,5-13,17H2,1-4H3
InChIKeyVJAQDUBISBECFG-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131841
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 107397782
3-(aminomethyl)-N-butyl-1-cyclopropyl-N-ethylpyrrolidin-3-amine
CID 62975638
N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65089094
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62703920
1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562532
1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682311
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine (CID 63471719) is 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine is CCCCN(CC)C1(CN)CCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is VJAQDUBISBECFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-12-18(6-2)16(13-17)10-8-15(9-11-16)14(3)4/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63471719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).