2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine

C11H26N2 — CID 43294696

IUPAC2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
SMILESCCCCCN(C)C(C)(CC)CN
InChIInChI=1S/C11H26N2/c1-5-7-8-9-13(4)11(3,6-2)10-12/h5-10,12H2,1-4H3
InChIKeyKSYWHJGNBOVUBR-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.24
Rot. Bonds7

About 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine

2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine (PubChem CID 43294696) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
PubChem CID43294696
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
SMILESCCCCCN(C)C(C)(CC)CN
InChIInChI=1S/C11H26N2/c1-5-7-8-9-13(4)11(3,6-2)10-12/h5-10,12H2,1-4H3
InChIKeyKSYWHJGNBOVUBR-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.24
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

2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
2-ethyl-2-N-hexyl-2-N-methylbutane-1,2-diamine
CID 62008988
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine
CID 114236764
2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 62010380
2-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
CID 106450923
2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
CID 82889191

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine (CID 43294696) is 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine is CCCCCN(C)C(C)(CC)CN.
What is the InChIKey of 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine?
The InChIKey is KSYWHJGNBOVUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-7-8-9-13(4)11(3,6-2)10-12/h5-10,12H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine?
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine is sourced from PubChem (CID 43294696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).