N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine

C29H64N4O3 — CID 171540599

About N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine

N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine (PubChem CID 171540599) has the molecular formula C29H64N4O3 and a molecular weight of 516.86 g/mol. Its IUPAC name is N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine
• PubChem CID: 171540599
• Molecular Formula: C29H64N4O3
• Molecular Weight: 516.86 g/mol
• Exact Mass: 516.50
• IUPAC Name: N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine
• SMILES: CC(C)CCCN1CCOCC1.CCCOCCN1CCOC(CNCC(C)C)C1.CNCC(C)C
• InChI: InChI=1S/C14H30N2O2.C10H21NO.C5H13N/c1-4-7-17-8-5-16-6-9-18-14(12-16)11-15-10-13(2)3;1-10(2)4-3-5-11-6-8-12-9-7-11;1-5(2)4-6-3/h13-15H,4-12H2,1-3H3;10H,3-9H2,1-2H3;5-6H,4H2,1-3H3
• InChIKey: IVEUWVJTYHSSJI-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 58.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.86
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine?

The IUPAC name of N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine (CID 171540599) is N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine.

What is the SMILES notation for N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine?

The canonical SMILES for N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine is CC(C)CCCN1CCOCC1.CCCOCCN1CCOC(CNCC(C)C)C1.CNCC(C)C.

What is the InChIKey of N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine?

The InChIKey is IVEUWVJTYHSSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2.C10H21NO.C5H13N/c1-4-7-17-8-5-16-6-9-18-14(12-16)11-15-10-13(2)3;1-10(2)4-3-5-11-6-8-12-9-7-11;1-5(2)4-6-3/h13-15H,4-12H2,1-3H3;10H,3-9H2,1-2H3;5-6H,4H2,1-3H3.

What are the key properties of N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine?

N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine has a molecular weight of 516.86 g/mol, XLogP of 3.98, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 171540599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).