N-(3-butoxypropyl)heptan-4-amine

C14H31NO — CID 115676243

IUPACN-(3-butoxypropyl)heptan-4-amine
SMILESCCCCOCCCNC(CCC)CCC
InChIInChI=1S/C14H31NO/c1-4-7-12-16-13-8-11-15-14(9-5-2)10-6-3/h14-15H,4-13H2,1-3H3
InChIKeyQTRNHPYBMOQXOE-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.75
Rot. Bonds12

About N-(3-butoxypropyl)heptan-4-amine

N-(3-butoxypropyl)heptan-4-amine (PubChem CID 115676243) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)heptan-4-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)heptan-4-amine
PubChem CID115676243
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-(3-butoxypropyl)heptan-4-amine
SMILESCCCCOCCCNC(CCC)CCC
InChIInChI=1S/C14H31NO/c1-4-7-12-16-13-8-11-15-14(9-5-2)10-6-3/h14-15H,4-13H2,1-3H3
InChIKeyQTRNHPYBMOQXOE-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.75
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)hexan-3-amine
CID 62118568
1-propoxy-N-propylheptan-4-amine
CID 79568616
N-pentyloctan-4-amine
CID 106023306
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
CID 103920888
1-butoxy-5-methyl-N-propylhexan-3-amine
CID 115003182
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
3-(3-butoxypropylamino)butan-2-ol
CID 115687601
2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide
CID 115577400
bis(2-hexyldecyl) 7-[3-[2-(2-butoxyethoxy)ethoxy]propylamino]tridecanedioate
CID 170242558

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)heptan-4-amine?
The IUPAC name of N-(3-butoxypropyl)heptan-4-amine (CID 115676243) is N-(3-butoxypropyl)heptan-4-amine.
What is the SMILES notation for N-(3-butoxypropyl)heptan-4-amine?
The canonical SMILES for N-(3-butoxypropyl)heptan-4-amine is CCCCOCCCNC(CCC)CCC.
What is the InChIKey of N-(3-butoxypropyl)heptan-4-amine?
The InChIKey is QTRNHPYBMOQXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-7-12-16-13-8-11-15-14(9-5-2)10-6-3/h14-15H,4-13H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)heptan-4-amine?
N-(3-butoxypropyl)heptan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.75, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)heptan-4-amine is sourced from PubChem (CID 115676243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).