1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol

C13H27NO2 — CID 64604658

IUPAC1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
SMILESCOCCC(C)NCC1(O)CCCCCC1
InChIInChI=1S/C13H27NO2/c1-12(7-10-16-2)14-11-13(15)8-5-3-4-6-9-13/h12,14-15H,3-11H2,1-2H3
InChIKeyLOTNBYVWWMQALQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.09
Rot. Bonds6

About 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol

1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol (PubChem CID 64604658) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
PubChem CID64604658
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
SMILESCOCCC(C)NCC1(O)CCCCCC1
InChIInChI=1S/C13H27NO2/c1-12(7-10-16-2)14-11-13(15)8-5-3-4-6-9-13/h12,14-15H,3-11H2,1-2H3
InChIKeyLOTNBYVWWMQALQ-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107675
4-hydroxy-4-[(4-methoxybutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499519
methyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122312
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
CID 104582555
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
1-[(4-methoxybutan-2-ylamino)methyl]cyclopentane-1-carboxamide
CID 115720548
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
CID 106190470
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
N-(4-methoxybutan-2-yl)-1-methylcyclopentan-1-amine
CID 115595180

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol (CID 64604658) is 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol is COCCC(C)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol?
The InChIKey is LOTNBYVWWMQALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(7-10-16-2)14-11-13(15)8-5-3-4-6-9-13/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol?
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 64604658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).