1-(tert-butylamino)hept-5-yn-2-ol

C11H21NO — CID 104813065

IUPAC1-(tert-butylamino)hept-5-yn-2-ol
SMILESCC#CCCC(O)CNC(C)(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-8-10(13)9-12-11(2,3)4/h10,12-13H,7-9H2,1-4H3
InChIKeyDTSIIRULGJWSFS-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds4

About 1-(tert-butylamino)hept-5-yn-2-ol

1-(tert-butylamino)hept-5-yn-2-ol (PubChem CID 104813065) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(tert-butylamino)hept-5-yn-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)hept-5-yn-2-ol
PubChem CID104813065
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(tert-butylamino)hept-5-yn-2-ol
SMILESCC#CCCC(O)CNC(C)(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-8-10(13)9-12-11(2,3)4/h10,12-13H,7-9H2,1-4H3
InChIKeyDTSIIRULGJWSFS-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Tert-butylamino)-4-methylpentan-2-ol
CID 534387
Cambridge id 5278743
CID 2839167
1-(Tert-butylamino)pentan-2-ol
CID 62774523
1-(Tert-butylamino)-5,5,5-trifluoropentan-2-ol
CID 65984935
1-(2-Hydroxypentylamino)pentan-2-ol
CID 12079168
1-(Tert-butylamino)butan-2-ol
CID 13610208
N-(2'-hydroxybutyl)-2-amino-2-methyl-1-propanol
CID 19806492
3-Ethyl-3-(ethylamino)pentan-2-ol
CID 19967866
1-(Propan-2-ylamino)pentan-2-ol
CID 20554634
1-(2-Methylbutan-2-ylamino)butan-2-ol
CID 20673371
3-(Pentylamino)butan-2-ol
CID 20677730
2-Methyl-2-(pentylamino)propan-1-ol
CID 21154221

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)hept-5-yn-2-ol?
The IUPAC name of 1-(tert-butylamino)hept-5-yn-2-ol (CID 104813065) is 1-(tert-butylamino)hept-5-yn-2-ol.
What is the SMILES notation for 1-(tert-butylamino)hept-5-yn-2-ol?
The canonical SMILES for 1-(tert-butylamino)hept-5-yn-2-ol is CC#CCCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)hept-5-yn-2-ol?
The InChIKey is DTSIIRULGJWSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-8-10(13)9-12-11(2,3)4/h10,12-13H,7-9H2,1-4H3.
What are the key properties of 1-(tert-butylamino)hept-5-yn-2-ol?
1-(tert-butylamino)hept-5-yn-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)hept-5-yn-2-ol is sourced from PubChem (CID 104813065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).