2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol

C17H36N2O — CID 64827354

IUPAC2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
SMILESCCCCCN(CCCC(C)(CO)NC1CC1)C(C)C
InChIInChI=1S/C17H36N2O/c1-5-6-7-12-19(15(2)3)13-8-11-17(4,14-20)18-16-9-10-16/h15-16,18,20H,5-14H2,1-4H3
InChIKeyFMVSLLKHHFWEOS-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.17
Rot. Bonds12

About 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol

2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol (PubChem CID 64827354) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
PubChem CID64827354
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
SMILESCCCCCN(CCCC(C)(CO)NC1CC1)C(C)C
InChIInChI=1S/C17H36N2O/c1-5-6-7-12-19(15(2)3)13-8-11-17(4,14-20)18-16-9-10-16/h15-16,18,20H,5-14H2,1-4H3
InChIKeyFMVSLLKHHFWEOS-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-6-[cyclopropylmethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 64825233
2-methyl-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962
2-(cyclopropylamino)-2-ethyl-5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 106803291
2-(cyclopropylamino)-6-[ethyl(propyl)amino]-2-methylhexan-1-ol
CID 64797663
2-(cyclohexylamino)-2-methylheptan-1-ol
CID 80558659
2-(cyclopropylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol
CID 64826804
2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol
CID 64797449
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 64797672
2-methyl-2-[(4-methylcyclohexyl)amino]pentan-1-ol
CID 115907238
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
2-(cyclopropylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64825760
2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
CID 64826615

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol (CID 64827354) is 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol is CCCCCN(CCCC(C)(CO)NC1CC1)C(C)C.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol?
The InChIKey is FMVSLLKHHFWEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-6-7-12-19(15(2)3)13-8-11-17(4,14-20)18-16-9-10-16/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol?
2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 64827354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).