N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine

C13H28N2 — CID 146366518

IUPACN'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
SMILESC=C(NCCCCN(C)C(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-11(2)13(5)14-9-7-8-10-15(6)12(3)4/h11-12,14H,5,7-10H2,1-4,6H3
InChIKeyMHWONDFDSFOSCV-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.87
Rot. Bonds8

About N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine

N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 146366518) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
PubChem CID146366518
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
SMILESC=C(NCCCCN(C)C(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-11(2)13(5)14-9-7-8-10-15(6)12(3)4/h11-12,14H,5,7-10H2,1-4,6H3
InChIKeyMHWONDFDSFOSCV-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.87
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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Related Compounds

N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 129308708
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine
CID 166800635
ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 168888487
N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine
CID 66047604
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
2-methyl-1-[4-[methyl(propan-2-yl)amino]butyl]-3-propylguanidine;hydroiodide
CID 111227154
2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 113233457
1-cyclopropyl-3-[4-[methyl(propan-2-yl)amino]butyl]thiourea
CID 115594319
2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 78958479
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine (CID 146366518) is N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine is C=C(NCCCCN(C)C(C)C)C(C)C.
What is the InChIKey of N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is MHWONDFDSFOSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)13(5)14-9-7-8-10-15(6)12(3)4/h11-12,14H,5,7-10H2,1-4,6H3.
What are the key properties of N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine?
N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 146366518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).