N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C16H34N2 — CID 79527297

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)CC1CCC(CN)CC1
InChIInChI=1S/C16H34N2/c1-13(2)10-18(11-14(3)4)12-16-7-5-15(9-17)6-8-16/h13-16H,5-12,17H2,1-4H3
InChIKeySPDKUUAMRQIBLL-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.37
Rot. Bonds7

About N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 79527297) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID79527297
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)CC1CCC(CN)CC1
InChIInChI=1S/C16H34N2/c1-13(2)10-18(11-14(3)4)12-16-7-5-15(9-17)6-8-16/h13-16H,5-12,17H2,1-4H3
InChIKeySPDKUUAMRQIBLL-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline
CID 142934641
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 126597968
4-[[bis(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 21470529
N-[[3-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 83619172
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
(2R)-1-[bis(cyclopropylmethyl)amino]propan-2-ol
CID 103935199
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070
N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65233035
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine
CID 79526773
3-[[ethyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 63046464

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 79527297) is N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CN(CC(C)C)CC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is SPDKUUAMRQIBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)10-18(11-14(3)4)12-16-7-5-15(9-17)6-8-16/h13-16H,5-12,17H2,1-4H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 79527297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).