1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine

C12H26N2O2 — CID 106872787

IUPAC1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine
SMILESCOC(C)CNC1(CN)CCCC(OC)C1
InChIInChI=1S/C12H26N2O2/c1-10(15-2)8-14-12(9-13)6-4-5-11(7-12)16-3/h10-11,14H,4-9,13H2,1-3H3
InChIKeyWABYRVAXRXKYBH-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds6

About 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine

1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine (PubChem CID 106872787) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine
PubChem CID106872787
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine
SMILESCOC(C)CNC1(CN)CCCC(OC)C1
InChIInChI=1S/C12H26N2O2/c1-10(15-2)8-14-12(9-13)6-4-5-11(7-12)16-3/h10-11,14H,4-9,13H2,1-3H3
InChIKeyWABYRVAXRXKYBH-UHFFFAOYSA-N
XLogP0.90
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 106872619
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine
CID 106872696
4-(aminomethyl)-2-ethyl-N-(2-methoxyethyl)oxan-4-amine
CID 64110493
4-(aminomethyl)-2-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65376940
4-(aminomethyl)-2-ethyl-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65377972
4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65378393
4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65378394
4-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyloxan-4-amine
CID 81851920
4-(aminomethyl)-2,6-dimethyl-N-[(2-methyloxolan-2-yl)methyl]oxan-4-amine
CID 81852237
4-(aminomethyl)-2,6-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 81852385
4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine
CID 102697128
4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine
CID 102697130

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine (CID 106872787) is 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine is COC(C)CNC1(CN)CCCC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine?
The InChIKey is WABYRVAXRXKYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(15-2)8-14-12(9-13)6-4-5-11(7-12)16-3/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine?
1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-(2-methoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 106872787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).