2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine

C15H30N2 — CID 134309918

IUPAC2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine
SMILESCC#CCCNCC(C)(C)CNCCCCC
InChIInChI=1S/C15H30N2/c1-5-7-9-11-16-13-15(3,4)14-17-12-10-8-6-2/h16-17H,5,7,9-14H2,1-4H3
InChIKeyZMHAKIVFWXXVQQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.80
Rot. Bonds10

About 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine

2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine (PubChem CID 134309918) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine
PubChem CID134309918
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine
SMILESCC#CCCNCC(C)(C)CNCCCCC
InChIInChI=1S/C15H30N2/c1-5-7-9-11-16-13-15(3,4)14-17-12-10-8-6-2/h16-17H,5,7,9-14H2,1-4H3
InChIKeyZMHAKIVFWXXVQQ-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
4,4-dimethyl-5-(pent-3-ynylamino)pentanenitrile
CID 116642917
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
4-(decylamino)-3,3-dimethylbutanenitrile
CID 21082820
2-methyl-2-N-pent-3-ynylheptane-1,2-diamine
CID 116643472
N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2-methyl-1-(octylamino)propan-2-ol
CID 65103945
ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756650

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine (CID 134309918) is 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine is CC#CCCNCC(C)(C)CNCCCCC.
What is the InChIKey of 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine?
The InChIKey is ZMHAKIVFWXXVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-7-9-11-16-13-15(3,4)14-17-12-10-8-6-2/h16-17H,5,7,9-14H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine?
2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine is sourced from PubChem (CID 134309918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).