N,N-dimethyl-1-tetradecoxypropan-1-amine

C19H41NO — CID 175405088

IUPACN,N-dimethyl-1-tetradecoxypropan-1-amine
SMILESCCCCCCCCCCCCCCOC(CC)N(C)C
InChIInChI=1S/C19H41NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-19(6-2)20(3)4/h19H,5-18H2,1-4H3
InChIKeyNLKXIGXBCPBTPK-UHFFFAOYSA-N
MW299.54 g/mol
LogP6.00
Rot. Bonds16

About N,N-dimethyl-1-tetradecoxypropan-1-amine

N,N-dimethyl-1-tetradecoxypropan-1-amine (PubChem CID 175405088) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is N,N-dimethyl-1-tetradecoxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-tetradecoxypropan-1-amine
PubChem CID175405088
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC NameN,N-dimethyl-1-tetradecoxypropan-1-amine
SMILESCCCCCCCCCCCCCCOC(CC)N(C)C
InChIInChI=1S/C19H41NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-19(6-2)20(3)4/h19H,5-18H2,1-4H3
InChIKeyNLKXIGXBCPBTPK-UHFFFAOYSA-N
XLogP6.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-2-(dimethylamino)ethanol
CID 170554858
1-pentan-3-yloxydecane
CID 173279604
1-(dimethylamino)-1-octadecoxypropan-2-ol
CID 87463227
1-(difluoromethoxy)decane
CID 14400535
4-(dimethylamino)-4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-2-ol
CID 87202784
1-(1-propoxypropoxy)hexane
CID 89482622
1-hexoxypropylsilane
CID 174351834
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
1-(1-chloropropoxy)icosane
CID 139652082
1-octoxypropylarsane
CID 173268691
octoxymethanediamine
CID 142625053

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-tetradecoxypropan-1-amine?
The IUPAC name of N,N-dimethyl-1-tetradecoxypropan-1-amine (CID 175405088) is N,N-dimethyl-1-tetradecoxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-tetradecoxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-1-tetradecoxypropan-1-amine is CCCCCCCCCCCCCCOC(CC)N(C)C.
What is the InChIKey of N,N-dimethyl-1-tetradecoxypropan-1-amine?
The InChIKey is NLKXIGXBCPBTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-19(6-2)20(3)4/h19H,5-18H2,1-4H3.
What are the key properties of N,N-dimethyl-1-tetradecoxypropan-1-amine?
N,N-dimethyl-1-tetradecoxypropan-1-amine has a molecular weight of 299.54 g/mol, XLogP of 6.00, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-tetradecoxypropan-1-amine is sourced from PubChem (CID 175405088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).