N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine

C18H37NO — CID 63522916

IUPACN-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
SMILESCCCCC1CCC(CCOC(C)C)(CNCC)CC1
InChIInChI=1S/C18H37NO/c1-5-7-8-17-9-11-18(12-10-17,15-19-6-2)13-14-20-16(3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyAHKBIXKPWOVZPR-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds10

About N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine

N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine (PubChem CID 63522916) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
PubChem CID63522916
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
SMILESCCCCC1CCC(CCOC(C)C)(CNCC)CC1
InChIInChI=1S/C18H37NO/c1-5-7-8-17-9-11-18(12-10-17,15-19-6-2)13-14-20-16(3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyAHKBIXKPWOVZPR-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine
CID 63523248
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566642
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol
CID 112745404
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282
N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63521313
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984483

Frequently Asked Questions

What is the IUPAC name of N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine (CID 63522916) is N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine is CCCCC1CCC(CCOC(C)C)(CNCC)CC1.
What is the InChIKey of N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is AHKBIXKPWOVZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-7-8-17-9-11-18(12-10-17,15-19-6-2)13-14-20-16(3)4/h16-17,19H,5-15H2,1-4H3.
What are the key properties of N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine?
N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 63522916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).