N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine

C19H39N3O2 — CID 159545234

IUPACN-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine
SMILESCCCC(CCCC(C)(C)C(C)=NO)CCNC(C)(C)C(C)=NO
InChIInChI=1S/C19H39N3O2/c1-8-10-17(11-9-13-18(4,5)15(2)21-23)12-14-20-19(6,7)16(3)22-24/h17,20,23-24H,8-14H2,1-7H3
InChIKeyPVTPJCMQRURIIZ-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.06
Rot. Bonds12

About N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine

N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine (PubChem CID 159545234) has the molecular formula C19H39N3O2 and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine
PubChem CID159545234
Molecular FormulaC19H39N3O2
Molecular Weight341.54 g/mol
Exact Mass341.30
IUPAC NameN-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine
SMILESCCCC(CCCC(C)(C)C(C)=NO)CCNC(C)(C)C(C)=NO
InChIInChI=1S/C19H39N3O2/c1-8-10-17(11-9-13-18(4,5)15(2)21-23)12-14-20-19(6,7)16(3)22-24/h17,20,23-24H,8-14H2,1-7H3
InChIKeyPVTPJCMQRURIIZ-UHFFFAOYSA-N
XLogP5.06
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine?
The IUPAC name of N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine (CID 159545234) is N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine is CCCC(CCCC(C)(C)C(C)=NO)CCNC(C)(C)C(C)=NO.
What is the InChIKey of N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine?
The InChIKey is PVTPJCMQRURIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O2/c1-8-10-17(11-9-13-18(4,5)15(2)21-23)12-14-20-19(6,7)16(3)22-24/h17,20,23-24H,8-14H2,1-7H3.
What are the key properties of N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine?
N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine has a molecular weight of 341.54 g/mol, XLogP of 5.06, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(8-hydroxyimino-7,7-dimethyl-3-propylnonyl)amino]-3-methylbutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 159545234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).