4-[ethyl(2-methylpropyl)amino]butan-1-ol

C10H23NO — CID 43509665

IUPAC4-[ethyl(2-methylpropyl)amino]butan-1-ol
SMILESCCN(CCCCO)CC(C)C
InChIInChI=1S/C10H23NO/c1-4-11(9-10(2)3)7-5-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyCFNXHEVJOUPDGP-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.74
Rot. Bonds7

About 4-[ethyl(2-methylpropyl)amino]butan-1-ol

4-[ethyl(2-methylpropyl)amino]butan-1-ol (PubChem CID 43509665) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)amino]butan-1-ol
PubChem CID43509665
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-[ethyl(2-methylpropyl)amino]butan-1-ol
SMILESCCN(CCCCO)CC(C)C
InChIInChI=1S/C10H23NO/c1-4-11(9-10(2)3)7-5-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyCFNXHEVJOUPDGP-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.74
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-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide
CID 62228669
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
CID 107704554
4-[2-[2-[2-[bis(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]propyl-(4-hydroxybutyl)amino]butan-1-ol
CID 87435036
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
CID 139910076
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)amino]butan-1-ol?
The IUPAC name of 4-[ethyl(2-methylpropyl)amino]butan-1-ol (CID 43509665) is 4-[ethyl(2-methylpropyl)amino]butan-1-ol.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)amino]butan-1-ol?
The canonical SMILES for 4-[ethyl(2-methylpropyl)amino]butan-1-ol is CCN(CCCCO)CC(C)C.
What is the InChIKey of 4-[ethyl(2-methylpropyl)amino]butan-1-ol?
The InChIKey is CFNXHEVJOUPDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-11(9-10(2)3)7-5-6-8-12/h10,12H,4-9H2,1-3H3.
What are the key properties of 4-[ethyl(2-methylpropyl)amino]butan-1-ol?
4-[ethyl(2-methylpropyl)amino]butan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)amino]butan-1-ol is sourced from PubChem (CID 43509665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).