N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine

C17H36N2 — CID 55194825

IUPACN-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCC)CCC)CCCCC1
InChIInChI=1S/C17H36N2/c1-4-12-18-15-17(10-8-7-9-11-17)16-19(13-5-2)14-6-3/h18H,4-16H2,1-3H3
InChIKeyJPUIFFDJVBJOMC-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds10

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

N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 55194825) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID55194825
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCC)CCC)CCCCC1
InChIInChI=1S/C17H36N2/c1-4-12-18-15-17(10-8-7-9-11-17)16-19(13-5-2)14-6-3/h18H,4-16H2,1-3H3
InChIKeyJPUIFFDJVBJOMC-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol
CID 62261295
N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256205
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63483648
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
1-[[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953493
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62272082
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63494958
N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390997
N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 81074698
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine (CID 55194825) is N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(CN(CCC)CCC)CCCCC1.
What is the InChIKey of N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is JPUIFFDJVBJOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-12-18-15-17(10-8-7-9-11-17)16-19(13-5-2)14-6-3/h18H,4-16H2,1-3H3.
What are the key properties of N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 55194825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).