N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine

C19H39NO — CID 66226002

IUPACN-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)(OCCC(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-8-16-9-11-19(12-10-16,15-20-18(5,6)7)21-14-13-17(2,3)4/h16,20H,8-15H2,1-7H3
InChIKeyFWGHKRMTNKJGPK-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.17
Rot. Bonds6

About N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 66226002) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID66226002
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)(OCCC(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-8-16-9-11-19(12-10-16,15-20-18(5,6)7)21-14-13-17(2,3)4/h16,20H,8-15H2,1-7H3
InChIKeyFWGHKRMTNKJGPK-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 62109568
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine
CID 66226009
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62108726
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63474782
N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 62108177
N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 62108400
N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine
CID 55036627
1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 55192680
1-(4-ethyl-1-methoxycyclohexyl)-N-methylmethanamine
CID 62108178

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 66226002) is N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine is CCC1CCC(CNC(C)(C)C)(OCCC(C)(C)C)CC1.
What is the InChIKey of N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FWGHKRMTNKJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-8-16-9-11-19(12-10-16,15-20-18(5,6)7)21-14-13-17(2,3)4/h16,20H,8-15H2,1-7H3.
What are the key properties of N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 297.53 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66226002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).