[1-(butan-2-ylamino)cyclododecyl]methanol

C17H35NO — CID 63428437

IUPAC[1-(butan-2-ylamino)cyclododecyl]methanol
SMILESCCC(C)NC1(CO)CCCCCCCCCCC1
InChIInChI=1S/C17H35NO/c1-3-16(2)18-17(15-19)13-11-9-7-5-4-6-8-10-12-14-17/h16,18-19H,3-15H2,1-2H3
InChIKeyPOELCMIETBZIDU-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.41
Rot. Bonds4

About [1-(butan-2-ylamino)cyclododecyl]methanol

[1-(butan-2-ylamino)cyclododecyl]methanol (PubChem CID 63428437) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is [1-(butan-2-ylamino)cyclododecyl]methanol.

Molecular Properties

Compound Name[1-(butan-2-ylamino)cyclododecyl]methanol
PubChem CID63428437
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name[1-(butan-2-ylamino)cyclododecyl]methanol
SMILESCCC(C)NC1(CO)CCCCCCCCCCC1
InChIInChI=1S/C17H35NO/c1-3-16(2)18-17(15-19)13-11-9-7-5-4-6-8-10-12-14-17/h16,18-19H,3-15H2,1-2H3
InChIKeyPOELCMIETBZIDU-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(butan-2-ylamino)cyclododecyl]methanol?
The IUPAC name of [1-(butan-2-ylamino)cyclododecyl]methanol (CID 63428437) is [1-(butan-2-ylamino)cyclododecyl]methanol.
What is the SMILES notation for [1-(butan-2-ylamino)cyclododecyl]methanol?
The canonical SMILES for [1-(butan-2-ylamino)cyclododecyl]methanol is CCC(C)NC1(CO)CCCCCCCCCCC1.
What is the InChIKey of [1-(butan-2-ylamino)cyclododecyl]methanol?
The InChIKey is POELCMIETBZIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-3-16(2)18-17(15-19)13-11-9-7-5-4-6-8-10-12-14-17/h16,18-19H,3-15H2,1-2H3.
What are the key properties of [1-(butan-2-ylamino)cyclododecyl]methanol?
[1-(butan-2-ylamino)cyclododecyl]methanol has a molecular weight of 269.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butan-2-ylamino)cyclododecyl]methanol is sourced from PubChem (CID 63428437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).