N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine

C23H48N2 — CID 167242973

IUPACN,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine
SMILESC=C(C(C)C)N(C)CC(C)C(C)CCCCCCCCCNC(C)C
InChIInChI=1S/C23H48N2/c1-19(2)23(7)25(8)18-22(6)21(5)16-14-12-10-9-11-13-15-17-24-20(3)4/h19-22,24H,7,9-18H2,1-6,8H3
InChIKeyXTRQPJAWXZHMHQ-UHFFFAOYSA-N
MW352.65 g/mol
LogP6.48
Rot. Bonds16

About N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine

N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine (PubChem CID 167242973) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine.

Molecular Properties

Compound NameN,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine
PubChem CID167242973
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC NameN,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine
SMILESC=C(C(C)C)N(C)CC(C)C(C)CCCCCCCCCNC(C)C
InChIInChI=1S/C23H48N2/c1-19(2)23(7)25(8)18-22(6)21(5)16-14-12-10-9-11-13-15-17-24-20(3)4/h19-22,24H,7,9-18H2,1-6,8H3
InChIKeyXTRQPJAWXZHMHQ-UHFFFAOYSA-N
XLogP6.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 56.48
H-Bond Donors ≤ 51
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,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine?
The IUPAC name of N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine (CID 167242973) is N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine.
What is the SMILES notation for N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine?
The canonical SMILES for N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine is C=C(C(C)C)N(C)CC(C)C(C)CCCCCCCCCNC(C)C.
What is the InChIKey of N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine?
The InChIKey is XTRQPJAWXZHMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2/c1-19(2)23(7)25(8)18-22(6)21(5)16-14-12-10-9-11-13-15-17-24-20(3)4/h19-22,24H,7,9-18H2,1-6,8H3.
What are the key properties of N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine?
N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine has a molecular weight of 352.65 g/mol, XLogP of 6.48, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-yldodecane-1,12-diamine is sourced from PubChem (CID 167242973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).