N-(1-ethoxypropan-2-yl)hexan-3-amine

C11H25NO — CID 115888994

IUPACN-(1-ethoxypropan-2-yl)hexan-3-amine
SMILESCCCC(CC)NC(C)COCC
InChIInChI=1S/C11H25NO/c1-5-8-11(6-2)12-10(4)9-13-7-3/h10-12H,5-9H2,1-4H3
InChIKeyVKYYJANBBGGSMH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds8

About N-(1-ethoxypropan-2-yl)hexan-3-amine

N-(1-ethoxypropan-2-yl)hexan-3-amine (PubChem CID 115888994) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)hexan-3-amine
PubChem CID115888994
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(1-ethoxypropan-2-yl)hexan-3-amine
SMILESCCCC(CC)NC(C)COCC
InChIInChI=1S/C11H25NO/c1-5-8-11(6-2)12-10(4)9-13-7-3/h10-12H,5-9H2,1-4H3
InChIKeyVKYYJANBBGGSMH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethoxypropan-2-ylamino)pentan-1-ol
CID 115723073
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
N-(1-ethoxypropan-2-yl)hex-1-yn-3-amine
CID 107234206
N-butan-2-ylheptan-4-amine
CID 43190303
3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77032461
N-pentan-3-ylhexan-3-amine
CID 62118915
2-N-(1-ethoxypropan-2-yl)propane-1,2-diamine
CID 103389655
methyl 3-(hexan-3-ylamino)butanoate
CID 62117257
N-pent-4-en-2-ylhexan-3-amine
CID 103921873
N-(5-methylhexan-2-yl)heptan-4-amine
CID 43097819
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
N-heptan-4-ylheptan-2-amine
CID 43572732

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)hexan-3-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)hexan-3-amine (CID 115888994) is N-(1-ethoxypropan-2-yl)hexan-3-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)hexan-3-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)hexan-3-amine is CCCC(CC)NC(C)COCC.
What is the InChIKey of N-(1-ethoxypropan-2-yl)hexan-3-amine?
The InChIKey is VKYYJANBBGGSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-8-11(6-2)12-10(4)9-13-7-3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(1-ethoxypropan-2-yl)hexan-3-amine?
N-(1-ethoxypropan-2-yl)hexan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)hexan-3-amine is sourced from PubChem (CID 115888994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).