N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine

C19H35N3 — CID 166016864

IUPACN-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine
SMILESCC(C)CCN(C)C1CCC(Cn2cc(C(C)C)cn2)CC1
InChIInChI=1S/C19H35N3/c1-15(2)10-11-21(5)19-8-6-17(7-9-19)13-22-14-18(12-20-22)16(3)4/h12,14-17,19H,6-11,13H2,1-5H3
InChIKeyDXDSXCUUDFGHNB-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.54
Rot. Bonds7

About N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine

N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine (PubChem CID 166016864) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine
PubChem CID166016864
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC NameN-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine
SMILESCC(C)CCN(C)C1CCC(Cn2cc(C(C)C)cn2)CC1
InChIInChI=1S/C19H35N3/c1-15(2)10-11-21(5)19-8-6-17(7-9-19)13-22-14-18(12-20-22)16(3)4/h12,14-17,19H,6-11,13H2,1-5H3
InChIKeyDXDSXCUUDFGHNB-UHFFFAOYSA-N
XLogP4.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine (CID 166016864) is N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine is CC(C)CCN(C)C1CCC(Cn2cc(C(C)C)cn2)CC1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is DXDSXCUUDFGHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-15(2)10-11-21(5)19-8-6-17(7-9-19)13-22-14-18(12-20-22)16(3)4/h12,14-17,19H,6-11,13H2,1-5H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine?
N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 305.51 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 166016864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).