[4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium

C16H25N2+ — CID 164539613

IUPAC[4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium
SMILES[NH3+]C1CCC(N(CC2CC2)c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c17-14-8-10-16(11-9-14)18(12-13-6-7-13)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12,17H2/p+1
InChIKeyLSBIHCOONOPGOP-UHFFFAOYSA-O
MW245.39 g/mol
LogP2.46
Rot. Bonds4

About [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium

[4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium (PubChem CID 164539613) has the molecular formula C16H25N2+ and a molecular weight of 245.39 g/mol. Its IUPAC name is [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium.

Molecular Properties

Compound Name[4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium
PubChem CID164539613
Molecular FormulaC16H25N2+
Molecular Weight245.39 g/mol
Exact Mass245.20
IUPAC Name[4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium
SMILES[NH3+]C1CCC(N(CC2CC2)c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c17-14-8-10-16(11-9-14)18(12-13-6-7-13)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12,17H2/p+1
InChIKeyLSBIHCOONOPGOP-UHFFFAOYSA-O
XLogP2.46
TPSA30.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 123700312
2-amino-5-[cyclopropyl(cyclopropylmethyl)amino]benzoic acid
CID 64520831
N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
CID 64520020
N-cyclopropyl-3-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79705735
1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone
CID 64520568
[2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol
CID 64521813
benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline
CID 164539589
N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline
CID 119932268
N-cyclobutyl-N-(pyrrolidin-1-ylmethyl)aniline
CID 68561100
4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid
CID 64521965
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyridine-2,4-diamine
CID 113367881
N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)pyridin-4-amine
CID 64520480

Frequently Asked Questions

What is the IUPAC name of [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium?
The IUPAC name of [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium (CID 164539613) is [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium.
What is the SMILES notation for [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium?
The canonical SMILES for [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium is [NH3+]C1CCC(N(CC2CC2)c2ccccc2)CC1.
What is the InChIKey of [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium?
The InChIKey is LSBIHCOONOPGOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2/c17-14-8-10-16(11-9-14)18(12-13-6-7-13)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12,17H2/p+1.
What are the key properties of [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium?
[4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium has a molecular weight of 245.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium is sourced from PubChem (CID 164539613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).