2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C17H34N2 — CID 104678972

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC1(C)C(CNCCC2(CN)CCCCC2)C1(C)C
InChIInChI=1S/C17H34N2/c1-15(2)14(16(15,3)4)12-19-11-10-17(13-18)8-6-5-7-9-17/h14,19H,5-13,18H2,1-4H3
InChIKeyFIFGHMACZXJJTA-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.56
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 104678972) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID104678972
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC1(C)C(CNCCC2(CN)CCCCC2)C1(C)C
InChIInChI=1S/C17H34N2/c1-15(2)14(16(15,3)4)12-19-11-10-17(13-18)8-6-5-7-9-17/h14,19H,5-13,18H2,1-4H3
InChIKeyFIFGHMACZXJJTA-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 81169943
2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114100611
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,2-dimethylcyclopropan-1-amine
CID 81170697
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine
CID 113440233
2-[1-(aminomethyl)cyclohexyl]-N-(dicyclopropylmethyl)ethanamine
CID 104678804
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143766
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine
CID 104678802
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
(1-pentylcyclopentyl)methanamine
CID 62725889
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine
CID 114547242
[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
CID 80603562
(1-ethylcyclooctyl)methanamine
CID 80604065

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 104678972) is 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CC1(C)C(CNCCC2(CN)CCCCC2)C1(C)C.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is FIFGHMACZXJJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2)14(16(15,3)4)12-19-11-10-17(13-18)8-6-5-7-9-17/h14,19H,5-13,18H2,1-4H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 104678972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).