N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine

C14H31NO — CID 62529508

IUPACN,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
SMILESCNCC(CCOCCC(C)C)CC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)6-8-16-9-7-14(11-15-5)10-13(3)4/h12-15H,6-11H2,1-5H3
InChIKeySYELFJGDMUWEDW-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.32
Rot. Bonds10

About N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine

N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine (PubChem CID 62529508) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
PubChem CID62529508
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
SMILESCNCC(CCOCCC(C)C)CC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)6-8-16-9-7-14(11-15-5)10-13(3)4/h12-15H,6-11H2,1-5H3
InChIKeySYELFJGDMUWEDW-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.32
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

2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine
CID 62528504
N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456556
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
2-[(2-bromophenyl)methyl]-N-methyl-4-(3-methylbutoxy)butan-1-amine
CID 62516836
N-methyl-2-(2-methylpropyl)nonan-1-amine
CID 63496028
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
4-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 62530936
N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
CID 55082814
2-(2-ethoxyethyl)-N-methylpentan-1-amine
CID 62530717
N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
CID 62528910

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The IUPAC name of N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine (CID 62529508) is N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The canonical SMILES for N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine is CNCC(CCOCCC(C)C)CC(C)C.
What is the InChIKey of N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The InChIKey is SYELFJGDMUWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)6-8-16-9-7-14(11-15-5)10-13(3)4/h12-15H,6-11H2,1-5H3.
What are the key properties of N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 62529508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).