N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine

C16H34N2 — CID 138726926

IUPACN',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine
SMILESC=C(NCC(C)CCCCCCCNC)C(C)C
InChIInChI=1S/C16H34N2/c1-14(2)16(4)18-13-15(3)11-9-7-6-8-10-12-17-5/h14-15,17-18H,4,6-13H2,1-3,5H3
InChIKeyJEWTWJWWPZPSMJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.94
Rot. Bonds12

About N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine

N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine (PubChem CID 138726926) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine
PubChem CID138726926
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine
SMILESC=C(NCC(C)CCCCCCCNC)C(C)C
InChIInChI=1S/C16H34N2/c1-14(2)16(4)18-13-15(3)11-9-7-6-8-10-12-17-5/h14-15,17-18H,4,6-13H2,1-3,5H3
InChIKeyJEWTWJWWPZPSMJ-UHFFFAOYSA-N
XLogP3.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine?
The IUPAC name of N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine (CID 138726926) is N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine.
What is the SMILES notation for N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine?
The canonical SMILES for N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine is C=C(NCC(C)CCCCCCCNC)C(C)C.
What is the InChIKey of N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine?
The InChIKey is JEWTWJWWPZPSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(2)16(4)18-13-15(3)11-9-7-6-8-10-12-17-5/h14-15,17-18H,4,6-13H2,1-3,5H3.
What are the key properties of N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine?
N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.94, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N-(3-methylbut-1-en-2-yl)nonane-1,9-diamine is sourced from PubChem (CID 138726926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).