4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol

C15H33NO — CID 62624462

IUPAC4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
SMILESCCCCCN(CCC(O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-7-8-9-11-16(13(2)3)12-10-14(17)15(4,5)6/h13-14,17H,7-12H2,1-6H3
InChIKeySXKHVOUGMNJNDU-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.68
Rot. Bonds8

About 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol

4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol (PubChem CID 62624462) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
PubChem CID62624462
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
SMILESCCCCCN(CCC(O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-7-8-9-11-16(13(2)3)12-10-14(17)15(4,5)6/h13-14,17H,7-12H2,1-6H3
InChIKeySXKHVOUGMNJNDU-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
3-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 64681832
2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 65267034
2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64826166
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
1-(dipropylamino)-4,4-dimethylpentan-3-ol
CID 62623381
4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826563
1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol
CID 103191453
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182
2-methyl-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol (CID 62624462) is 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol is CCCCCN(CCC(O)C(C)(C)C)C(C)C.
What is the InChIKey of 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol?
The InChIKey is SXKHVOUGMNJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-7-8-9-11-16(13(2)3)12-10-14(17)15(4,5)6/h13-14,17H,7-12H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol?
4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol has a molecular weight of 243.43 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol is sourced from PubChem (CID 62624462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).