N-(2-butoxyethyl)hexan-3-amine

C12H27NO — CID 62118568

IUPACN-(2-butoxyethyl)hexan-3-amine
SMILESCCCCOCCNC(CC)CCC
InChIInChI=1S/C12H27NO/c1-4-7-10-14-11-9-13-12(6-3)8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyVHSVFVMGESEQFX-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds10

About N-(2-butoxyethyl)hexan-3-amine

N-(2-butoxyethyl)hexan-3-amine (PubChem CID 62118568) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(2-butoxyethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)hexan-3-amine
PubChem CID62118568
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(2-butoxyethyl)hexan-3-amine
SMILESCCCCOCCNC(CC)CCC
InChIInChI=1S/C12H27NO/c1-4-7-10-14-11-9-13-12(6-3)8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyVHSVFVMGESEQFX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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-(2-butoxyethyl)pentan-3-amine
CID 61168899
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
1-propoxy-N-propylheptan-4-amine
CID 79568616
2-[2-(heptan-3-ylamino)ethoxy]acetamide
CID 106235405
N-hexan-3-ylhexan-1-amine
CID 62117591
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
CID 103920888
6-butoxy-N-methylhexan-3-amine
CID 61483969
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
N-pentylheptan-3-amine
CID 63944300
N-(2-octoxyethyl)pentan-2-amine
CID 55196861

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)hexan-3-amine?
The IUPAC name of N-(2-butoxyethyl)hexan-3-amine (CID 62118568) is N-(2-butoxyethyl)hexan-3-amine.
What is the SMILES notation for N-(2-butoxyethyl)hexan-3-amine?
The canonical SMILES for N-(2-butoxyethyl)hexan-3-amine is CCCCOCCNC(CC)CCC.
What is the InChIKey of N-(2-butoxyethyl)hexan-3-amine?
The InChIKey is VHSVFVMGESEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-10-14-11-9-13-12(6-3)8-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)hexan-3-amine?
N-(2-butoxyethyl)hexan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)hexan-3-amine is sourced from PubChem (CID 62118568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).