6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol

C16H34N2O — CID 64825430

IUPAC6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN(CC1CC1)C(C)C
InChIInChI=1S/C16H34N2O/c1-5-17-16(4,13-19)10-6-7-11-18(14(2)3)12-15-8-9-15/h14-15,17,19H,5-13H2,1-4H3
InChIKeyLDOXJGWVKKMQOM-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds11

About 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol

6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64825430) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64825430
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN(CC1CC1)C(C)C
InChIInChI=1S/C16H34N2O/c1-5-17-16(4,13-19)10-6-7-11-18(14(2)3)12-15-8-9-15/h14-15,17,19H,5-13H2,1-4H3
InChIKeyLDOXJGWVKKMQOM-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
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
5-[cyclopropylmethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64826014
2-(ethylamino)-6-[2-methoxyethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 82965249
2-(ethylamino)-2-methyl-5-[2-methylpropyl(propan-2-yl)amino]pentan-1-ol
CID 64828003
6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 64827639
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
CID 64811479
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]-2-methylbutan-1-ol
CID 64797860
2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827354
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 65254258
4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
CID 64787817
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825533

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol (CID 64825430) is 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCN(CC1CC1)C(C)C.
What is the InChIKey of 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is LDOXJGWVKKMQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-17-16(4,13-19)10-6-7-11-18(14(2)3)12-15-8-9-15/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64825430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).