1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol

C13H27NO — CID 115718547

IUPAC1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol
SMILESCCCC(C)C(CC)NCC1(O)CCC1
InChIInChI=1S/C13H27NO/c1-4-7-11(3)12(5-2)14-10-13(15)8-6-9-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyQGMCYBHYIMFIEK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds7

About 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol

1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol (PubChem CID 115718547) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol
PubChem CID115718547
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol
SMILESCCCC(C)C(CC)NCC1(O)CCC1
InChIInChI=1S/C13H27NO/c1-4-7-11(3)12(5-2)14-10-13(15)8-6-9-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyQGMCYBHYIMFIEK-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 104892073
1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
CID 130502696
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-2-ylpropanamide
CID 65109113
1-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]cycloheptan-1-ol
CID 54954236
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol
CID 115756769
1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol
CID 115718567
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol
CID 106115528

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol (CID 115718547) is 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol is CCCC(C)C(CC)NCC1(O)CCC1.
What is the InChIKey of 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is QGMCYBHYIMFIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-11(3)12(5-2)14-10-13(15)8-6-9-13/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol?
1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115718547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).