3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol

C14H29NO — CID 115726083

IUPAC3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol
SMILESCCC(NCC(CCO)CC(C)C)C1CC1
InChIInChI=1S/C14H29NO/c1-4-14(13-5-6-13)15-10-12(7-8-16)9-11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyGWUWOZMHLZMMRB-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.81
Rot. Bonds9

About 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol

3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol (PubChem CID 115726083) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol
PubChem CID115726083
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol
SMILESCCC(NCC(CCO)CC(C)C)C1CC1
InChIInChI=1S/C14H29NO/c1-4-14(13-5-6-13)15-10-12(7-8-16)9-11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyGWUWOZMHLZMMRB-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol
CID 115727563
5-methyl-3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 115906054
5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol
CID 115722950
(3R)-3-(1-cyclopropylpropylamino)butan-1-ol
CID 103871687
N-(1-cyclopropylpropyl)-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 64919676
N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
CID 63492618
methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
CID 103258992
3-cyclopropyl-3-(3-methylpentan-2-ylamino)propan-1-ol
CID 115891712
1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62405754
N-(1-cyclopropylpropyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115709211
3-(1-cyclohexylpropylamino)propane-1,2-diol
CID 76943229
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol?
The IUPAC name of 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol (CID 115726083) is 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol.
What is the SMILES notation for 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol?
The canonical SMILES for 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol is CCC(NCC(CCO)CC(C)C)C1CC1.
What is the InChIKey of 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol?
The InChIKey is GWUWOZMHLZMMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-14(13-5-6-13)15-10-12(7-8-16)9-11(2)3/h11-16H,4-10H2,1-3H3.
What are the key properties of 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol?
3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol is sourced from PubChem (CID 115726083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).