N-(3-methoxypropyl)-2-methylundecan-3-amine

C16H35NO — CID 20518077

IUPACN-(3-methoxypropyl)-2-methylundecan-3-amine
SMILESCCCCCCCCC(NCCCOC)C(C)C
InChIInChI=1S/C16H35NO/c1-5-6-7-8-9-10-12-16(15(2)3)17-13-11-14-18-4/h15-17H,5-14H2,1-4H3
InChIKeyMAMFCJZNCVVHFM-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.39
Rot. Bonds13

About N-(3-methoxypropyl)-2-methylundecan-3-amine

N-(3-methoxypropyl)-2-methylundecan-3-amine (PubChem CID 20518077) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methylundecan-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methylundecan-3-amine
PubChem CID20518077
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-(3-methoxypropyl)-2-methylundecan-3-amine
SMILESCCCCCCCCC(NCCCOC)C(C)C
InChIInChI=1S/C16H35NO/c1-5-6-7-8-9-10-12-16(15(2)3)17-13-11-14-18-4/h15-17H,5-14H2,1-4H3
InChIKeyMAMFCJZNCVVHFM-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.39
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-butyl-2-methylundecan-3-amine
CID 54414927
N-(2-methylheptan-3-yl)octan-1-amine
CID 5234872
4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine
CID 18338938
N-(3-methoxypropyl)dodecan-1-amine
CID 20316976
(3-Methoxypropyl)(4-methylpentan-2-yl)amine
CID 43205050
N-ethyl-2-methyltridecan-4-amine
CID 55188122
N-(1-methoxybutan-2-yl)-2-methyloctan-4-amine
CID 60076234
N-(2-methoxyethyl)-2-methylnonan-4-amine
CID 60076240
N-(2-methoxyethyl)-2-methyloctan-4-amine
CID 60076281
N-(1-methoxybutan-2-yl)-2-methylnonan-4-amine
CID 60076289
2-methyl-N-propyldodecan-3-amine
CID 63399825
7-methyl-N-octan-2-yloctan-1-amine
CID 63421798

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methylundecan-3-amine?
The IUPAC name of N-(3-methoxypropyl)-2-methylundecan-3-amine (CID 20518077) is N-(3-methoxypropyl)-2-methylundecan-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-methylundecan-3-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-methylundecan-3-amine is CCCCCCCCC(NCCCOC)C(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-methylundecan-3-amine?
The InChIKey is MAMFCJZNCVVHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-6-7-8-9-10-12-16(15(2)3)17-13-11-14-18-4/h15-17H,5-14H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-2-methylundecan-3-amine?
N-(3-methoxypropyl)-2-methylundecan-3-amine has a molecular weight of 257.46 g/mol, XLogP of 4.39, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methylundecan-3-amine is sourced from PubChem (CID 20518077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).