4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine

C15H31N3 — CID 141480966

IUPAC4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CC(C(N)C2CCC(N)C(C)C2)CCC1N
InChIInChI=1S/C15H31N3/c1-9-7-11(3-5-13(9)16)15(18)12-4-6-14(17)10(2)8-12/h9-15H,3-8,16-18H2,1-2H3
InChIKeyUWSXTXWDHZEWNZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.84
Rot. Bonds2

About 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine

4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 141480966) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID141480966
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CC(C(N)C2CCC(N)C(C)C2)CCC1N
InChIInChI=1S/C15H31N3/c1-9-7-11(3-5-13(9)16)15(18)12-4-6-14(17)10(2)8-12/h9-15H,3-8,16-18H2,1-2H3
InChIKeyUWSXTXWDHZEWNZ-UHFFFAOYSA-N
XLogP1.84
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
2,4-dimethylcyclohexan-1-amine
CID 14675373
(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105154564
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine
CID 107189199
4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 146360825
4-methoxy-2-methylcyclohexan-1-amine
CID 147825198
4-[1-(4-aminocyclohexyl)-2,2-bis(4-amino-3-methylcyclohexyl)ethyl]aniline
CID 70270563
3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine
CID 91494371
4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane
CID 22137195
4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine
CID 57090235
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine (CID 141480966) is 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine is CC1CC(C(N)C2CCC(N)C(C)C2)CCC1N.
What is the InChIKey of 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is UWSXTXWDHZEWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-9-7-11(3-5-13(9)16)15(18)12-4-6-14(17)10(2)8-12/h9-15H,3-8,16-18H2,1-2H3.
What are the key properties of 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine?
4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 141480966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).