2-(heptan-2-ylamino)-2-methylbutan-1-ol

C12H27NO — CID 111434889

IUPAC2-(heptan-2-ylamino)-2-methylbutan-1-ol
SMILESCCCCCC(C)NC(C)(CC)CO
InChIInChI=1S/C12H27NO/c1-5-7-8-9-11(3)13-12(4,6-2)10-14/h11,13-14H,5-10H2,1-4H3
InChIKeyXKZZDMAXDNQDGO-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.71
Rot. Bonds8

About 2-(heptan-2-ylamino)-2-methylbutan-1-ol

2-(heptan-2-ylamino)-2-methylbutan-1-ol (PubChem CID 111434889) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(heptan-2-ylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(heptan-2-ylamino)-2-methylbutan-1-ol
PubChem CID111434889
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(heptan-2-ylamino)-2-methylbutan-1-ol
SMILESCCCCCC(C)NC(C)(CC)CO
InChIInChI=1S/C12H27NO/c1-5-7-8-9-11(3)13-12(4,6-2)10-14/h11,13-14H,5-10H2,1-4H3
InChIKeyXKZZDMAXDNQDGO-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(heptan-2-ylamino)butanoic acid
CID 114996703
2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol
CID 115927781
2-methyl-2-(pentan-3-ylamino)butan-1-ol
CID 78996542
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
2-(1-ethylsulfonylpropan-2-ylamino)-2-methylpentan-1-ol
CID 115920443
N-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]propanamide
CID 64550594
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
N-hexadecan-2-ylhydroxylamine
CID 54390562
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
2-(nonan-2-ylamino)propanoic acid
CID 61499682
2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-2-ylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(heptan-2-ylamino)-2-methylbutan-1-ol (CID 111434889) is 2-(heptan-2-ylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(heptan-2-ylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(heptan-2-ylamino)-2-methylbutan-1-ol is CCCCCC(C)NC(C)(CC)CO.
What is the InChIKey of 2-(heptan-2-ylamino)-2-methylbutan-1-ol?
The InChIKey is XKZZDMAXDNQDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-8-9-11(3)13-12(4,6-2)10-14/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 2-(heptan-2-ylamino)-2-methylbutan-1-ol?
2-(heptan-2-ylamino)-2-methylbutan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-2-ylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 111434889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).