N-propyl-4-(trimethoxymethyl)dodecan-1-amine

C19H41NO3 — CID 150052218

IUPACN-propyl-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCNCCC)C(OC)(OC)OC
InChIInChI=1S/C19H41NO3/c1-6-8-9-10-11-12-14-18(15-13-17-20-16-7-2)19(21-3,22-4)23-5/h18,20H,6-17H2,1-5H3
InChIKeyDLOGCPDUJAYDFS-UHFFFAOYSA-N
MW331.54 g/mol
LogP4.73
Rot. Bonds17

About N-propyl-4-(trimethoxymethyl)dodecan-1-amine

N-propyl-4-(trimethoxymethyl)dodecan-1-amine (PubChem CID 150052218) has the molecular formula C19H41NO3 and a molecular weight of 331.54 g/mol. Its IUPAC name is N-propyl-4-(trimethoxymethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-propyl-4-(trimethoxymethyl)dodecan-1-amine
PubChem CID150052218
Molecular FormulaC19H41NO3
Molecular Weight331.54 g/mol
Exact Mass331.31
IUPAC NameN-propyl-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCNCCC)C(OC)(OC)OC
InChIInChI=1S/C19H41NO3/c1-6-8-9-10-11-12-14-18(15-13-17-20-16-7-2)19(21-3,22-4)23-5/h18,20H,6-17H2,1-5H3
InChIKeyDLOGCPDUJAYDFS-UHFFFAOYSA-N
XLogP4.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(trimethoxymethyl)dodecan-1-amine?
The IUPAC name of N-propyl-4-(trimethoxymethyl)dodecan-1-amine (CID 150052218) is N-propyl-4-(trimethoxymethyl)dodecan-1-amine.
What is the SMILES notation for N-propyl-4-(trimethoxymethyl)dodecan-1-amine?
The canonical SMILES for N-propyl-4-(trimethoxymethyl)dodecan-1-amine is CCCCCCCCC(CCCNCCC)C(OC)(OC)OC.
What is the InChIKey of N-propyl-4-(trimethoxymethyl)dodecan-1-amine?
The InChIKey is DLOGCPDUJAYDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO3/c1-6-8-9-10-11-12-14-18(15-13-17-20-16-7-2)19(21-3,22-4)23-5/h18,20H,6-17H2,1-5H3.
What are the key properties of N-propyl-4-(trimethoxymethyl)dodecan-1-amine?
N-propyl-4-(trimethoxymethyl)dodecan-1-amine has a molecular weight of 331.54 g/mol, XLogP of 4.73, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(trimethoxymethyl)dodecan-1-amine is sourced from PubChem (CID 150052218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).