trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine

C10H22N2 — CID 68732820

IUPACtrans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine
SMILESCC1(C)[C@@H](CN)CCC[C@]1(C)N
InChIInChI=1S/C10H22N2/c1-9(2)8(7-11)5-4-6-10(9,3)12/h8H,4-7,11-12H2,1-3H3/t8-,10+/m1/s1
InChIKeyLXKXAXUUIFTFEJ-SCZZXKLOSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds1

About trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine

trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine (PubChem CID 68732820) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine
PubChem CID68732820
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nametrans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine
SMILESCC1(C)[C@@H](CN)CCC[C@]1(C)N
InChIInChI=1S/C10H22N2/c1-9(2)8(7-11)5-4-6-10(9,3)12/h8H,4-7,11-12H2,1-3H3/t8-,10+/m1/s1
InChIKeyLXKXAXUUIFTFEJ-SCZZXKLOSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine (CID 68732820) is trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine is CC1(C)[C@@H](CN)CCC[C@]1(C)N.
What is the InChIKey of trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine?
The InChIKey is LXKXAXUUIFTFEJ-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)8(7-11)5-4-6-10(9,3)12/h8H,4-7,11-12H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine?
trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(aminomethyl)-1,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 68732820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).