1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol

C12H25NO — CID 65105584

IUPAC1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCCCCC(C)NCC1(O)CCCC1
InChIInChI=1S/C12H25NO/c1-3-4-7-11(2)13-10-12(14)8-5-6-9-12/h11,13-14H,3-10H2,1-2H3
InChIKeyHKUNWUFGFLEQCK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.46
Rot. Bonds6

About 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol

1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 65105584) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID65105584
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCCCCC(C)NCC1(O)CCCC1
InChIInChI=1S/C12H25NO/c1-3-4-7-11(2)13-10-12(14)8-5-6-9-12/h11,13-14H,3-10H2,1-2H3
InChIKeyHKUNWUFGFLEQCK-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
4-[(hexan-2-ylamino)methyl]thian-4-ol
CID 115722101
1-[(heptan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115663
1-[(hexan-2-ylamino)methyl]cyclopentan-1-amine
CID 62199878
1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine
CID 62200817
N-[(1-methylcyclobutyl)methyl]hexan-2-amine
CID 103903182
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid
CID 103253670
1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
CID 104582555
3-[(heptan-2-ylamino)methyl]oxolan-3-ol
CID 115896429
1-[[1-(diethylamino)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65211000
1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
CID 130502696

Frequently Asked Questions

What is the IUPAC name of 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol (CID 65105584) is 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol is CCCCC(C)NCC1(O)CCCC1.
What is the InChIKey of 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is HKUNWUFGFLEQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-7-11(2)13-10-12(14)8-5-6-9-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol?
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).