N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine

C30H63NO — CID 172773198

IUPACN-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine
SMILESCCCCCCCCCCCCN(O)C(CCC)(CCC)CCCCCCCCCCC
InChIInChI=1S/C30H63NO/c1-5-9-11-13-15-17-19-21-23-25-29-31(32)30(26-7-3,27-8-4)28-24-22-20-18-16-14-12-10-6-2/h32H,5-29H2,1-4H3
InChIKeyNFTWKURGBAPPGI-UHFFFAOYSA-N
MW453.84 g/mol
LogP10.86
Rot. Bonds26

About N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine

N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine (PubChem CID 172773198) has the molecular formula C30H63NO and a molecular weight of 453.84 g/mol. Its IUPAC name is N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine
PubChem CID172773198
Molecular FormulaC30H63NO
Molecular Weight453.84 g/mol
Exact Mass453.49
IUPAC NameN-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine
SMILESCCCCCCCCCCCCN(O)C(CCC)(CCC)CCCCCCCCCCC
InChIInChI=1S/C30H63NO/c1-5-9-11-13-15-17-19-21-23-25-29-31(32)30(26-7-3,27-8-4)28-24-22-20-18-16-14-12-10-6-2/h32H,5-29H2,1-4H3
InChIKeyNFTWKURGBAPPGI-UHFFFAOYSA-N
XLogP10.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.84
LogP ≤ 510.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine?
The IUPAC name of N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine (CID 172773198) is N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine.
What is the SMILES notation for N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine?
The canonical SMILES for N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine is CCCCCCCCCCCCN(O)C(CCC)(CCC)CCCCCCCCCCC.
What is the InChIKey of N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine?
The InChIKey is NFTWKURGBAPPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63NO/c1-5-9-11-13-15-17-19-21-23-25-29-31(32)30(26-7-3,27-8-4)28-24-22-20-18-16-14-12-10-6-2/h32H,5-29H2,1-4H3.
What are the key properties of N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine?
N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine has a molecular weight of 453.84 g/mol, XLogP of 10.86, 26 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-(4-propylpentadecan-4-yl)hydroxylamine is sourced from PubChem (CID 172773198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).