N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine

C24H49N — CID 153404295

IUPACN,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine
SMILESCC(C)N(C)CC(C)(C)CC1CCC(CC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C24H49N/c1-19(2)25(10)18-24(8,9)16-21-13-11-20(12-14-21)15-23(6,7)17-22(3,4)5/h19-21H,11-18H2,1-10H3
InChIKeyTXDRYCHOQOLXAO-UHFFFAOYSA-N
MW351.66 g/mol
LogP7.40
Rot. Bonds8

About N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine

N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine (PubChem CID 153404295) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine
PubChem CID153404295
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC NameN,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine
SMILESCC(C)N(C)CC(C)(C)CC1CCC(CC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C24H49N/c1-19(2)25(10)18-24(8,9)16-21-13-11-20(12-14-21)15-23(6,7)17-22(3,4)5/h19-21H,11-18H2,1-10H3
InChIKeyTXDRYCHOQOLXAO-UHFFFAOYSA-N
XLogP7.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine (CID 153404295) is N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine is CC(C)N(C)CC(C)(C)CC1CCC(CC(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine?
The InChIKey is TXDRYCHOQOLXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N/c1-19(2)25(10)18-24(8,9)16-21-13-11-20(12-14-21)15-23(6,7)17-22(3,4)5/h19-21H,11-18H2,1-10H3.
What are the key properties of N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine?
N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine has a molecular weight of 351.66 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 153404295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).