N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline

C19H32N2 — CID 107449069

IUPACN-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)C2(CN)CCCC(C(C)C)C2)c(C)c1
InChIInChI=1S/C19H32N2/c1-14(2)17-7-6-10-19(12-17,13-20)21(5)18-9-8-15(3)11-16(18)4/h8-9,11,14,17H,6-7,10,12-13,20H2,1-5H3
InChIKeySSLMCNHBCQSQGB-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline

N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline (PubChem CID 107449069) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline
PubChem CID107449069
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)C2(CN)CCCC(C(C)C)C2)c(C)c1
InChIInChI=1S/C19H32N2/c1-14(2)17-7-6-10-19(12-17,13-20)21(5)18-9-8-15(3)11-16(18)4/h8-9,11,14,17H,6-7,10,12-13,20H2,1-5H3
InChIKeySSLMCNHBCQSQGB-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline (CID 107449069) is N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline is Cc1ccc(N(C)C2(CN)CCCC(C(C)C)C2)c(C)c1.
What is the InChIKey of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline?
The InChIKey is SSLMCNHBCQSQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14(2)17-7-6-10-19(12-17,13-20)21(5)18-9-8-15(3)11-16(18)4/h8-9,11,14,17H,6-7,10,12-13,20H2,1-5H3.
What are the key properties of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline?
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 107449069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).