3-(3,6,8-trimethyldecoxy)propan-1-amine

C16H35NO — CID 146184541

IUPAC3-(3,6,8-trimethyldecoxy)propan-1-amine
SMILESCCC(C)CC(C)CCC(C)CCOCCCN
InChIInChI=1S/C16H35NO/c1-5-14(2)13-16(4)8-7-15(3)9-12-18-11-6-10-17/h14-16H,5-13,17H2,1-4H3
InChIKeyIEAVMNGPKCURES-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.23
Rot. Bonds12

About 3-(3,6,8-trimethyldecoxy)propan-1-amine

3-(3,6,8-trimethyldecoxy)propan-1-amine (PubChem CID 146184541) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-(3,6,8-trimethyldecoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3,6,8-trimethyldecoxy)propan-1-amine
PubChem CID146184541
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-(3,6,8-trimethyldecoxy)propan-1-amine
SMILESCCC(C)CC(C)CCC(C)CCOCCCN
InChIInChI=1S/C16H35NO/c1-5-14(2)13-16(4)8-7-15(3)9-12-18-11-6-10-17/h14-16H,5-13,17H2,1-4H3
InChIKeyIEAVMNGPKCURES-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.23
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

3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
CID 6454523
3,5,7,10,12-pentamethyltetradecane
CID 59582352
3-[3-(3-aminopropoxy)pentoxy]propan-1-amine
CID 57073090
2-(7-methylnonoxy)ethanamine
CID 90169866
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745
3-methyl-1-propoxypentane
CID 123388243
(3R)-1-(2-fluoroethoxy)-3-methylpentane
CID 130394752
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
5-ethoxy-3-methylpentan-1-amine
CID 87063287
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-(6-ethyloctoxy)propan-1-amine
CID 174834787
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442

Frequently Asked Questions

What is the IUPAC name of 3-(3,6,8-trimethyldecoxy)propan-1-amine?
The IUPAC name of 3-(3,6,8-trimethyldecoxy)propan-1-amine (CID 146184541) is 3-(3,6,8-trimethyldecoxy)propan-1-amine.
What is the SMILES notation for 3-(3,6,8-trimethyldecoxy)propan-1-amine?
The canonical SMILES for 3-(3,6,8-trimethyldecoxy)propan-1-amine is CCC(C)CC(C)CCC(C)CCOCCCN.
What is the InChIKey of 3-(3,6,8-trimethyldecoxy)propan-1-amine?
The InChIKey is IEAVMNGPKCURES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-14(2)13-16(4)8-7-15(3)9-12-18-11-6-10-17/h14-16H,5-13,17H2,1-4H3.
What are the key properties of 3-(3,6,8-trimethyldecoxy)propan-1-amine?
3-(3,6,8-trimethyldecoxy)propan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6,8-trimethyldecoxy)propan-1-amine is sourced from PubChem (CID 146184541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).