N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine

C12H26N2 — CID 123988993

IUPACN-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CNC)CC1
InChIInChI=1S/C12H26N2/c1-3-8-14-10-12-6-4-11(5-7-12)9-13-2/h11-14H,3-10H2,1-2H3
InChIKeyADOZBBXYHVAHDE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds6

About N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine

N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 123988993) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID123988993
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CNC)CC1
InChIInChI=1S/C12H26N2/c1-3-8-14-10-12-6-4-11(5-7-12)9-13-2/h11-14H,3-10H2,1-2H3
InChIKeyADOZBBXYHVAHDE-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.01
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

N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
N-[(4-ethylcyclohexyl)methyl]decan-1-amine
CID 63492900
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
4-(methylaminomethyl)cyclohexane-1-carbaldehyde
CID 88882125
4-cyclopropyl-N-propylbutan-1-amine
CID 57222613

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine (CID 123988993) is N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(CNC)CC1.
What is the InChIKey of N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is ADOZBBXYHVAHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-8-14-10-12-6-4-11(5-7-12)9-13-2/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine?
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 123988993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).