[butan-2-yl(propan-2-yl)amino]azanide

C7H17N2- — CID 163691256

IUPAC[butan-2-yl(propan-2-yl)amino]azanide
SMILESCCC(C)N([NH-])C(C)C
InChIInChI=1S/C7H17N2/c1-5-7(4)9(8)6(2)3/h6-8H,5H2,1-4H3/q-1
InChIKeyYTOZOEOPPKZQDV-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.46
Rot. Bonds3

About [butan-2-yl(propan-2-yl)amino]azanide

[butan-2-yl(propan-2-yl)amino]azanide (PubChem CID 163691256) has the molecular formula C7H17N2- and a molecular weight of 129.23 g/mol. Its IUPAC name is [butan-2-yl(propan-2-yl)amino]azanide.

Molecular Properties

Compound Name[butan-2-yl(propan-2-yl)amino]azanide
PubChem CID163691256
Molecular FormulaC7H17N2-
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Name[butan-2-yl(propan-2-yl)amino]azanide
SMILESCCC(C)N([NH-])C(C)C
InChIInChI=1S/C7H17N2/c1-5-7(4)9(8)6(2)3/h6-8H,5H2,1-4H3/q-1
InChIKeyYTOZOEOPPKZQDV-UHFFFAOYSA-N
XLogP2.46
TPSA27.04 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
ethane;N-ethyl-N-propan-2-ylbutan-2-amine
CID 143592166
N-butan-2-yl-3-chloro-N-methylpropane-1-sulfonamide
CID 43654521
N-(1-bromoethyl)-N-propan-2-ylbutan-2-amine
CID 138551328
N-(2-methylpropyl)-N-propan-2-ylbutan-2-amine
CID 139772547
N,N-dipropylbutan-2-amine
CID 524229
N-butan-2-yl-N-[di(butan-2-yl)amino]silylsilylbutan-2-amine
CID 123473093
butan-2-yl(triethyl)-λ4-sulfane
CID 154937143
N-methyl-N-methylsulfanylbutan-2-amine
CID 123569080
di(butan-2-yl)sulfamic acid
CID 156663387
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971

Frequently Asked Questions

What is the IUPAC name of [butan-2-yl(propan-2-yl)amino]azanide?
The IUPAC name of [butan-2-yl(propan-2-yl)amino]azanide (CID 163691256) is [butan-2-yl(propan-2-yl)amino]azanide.
What is the SMILES notation for [butan-2-yl(propan-2-yl)amino]azanide?
The canonical SMILES for [butan-2-yl(propan-2-yl)amino]azanide is CCC(C)N([NH-])C(C)C.
What is the InChIKey of [butan-2-yl(propan-2-yl)amino]azanide?
The InChIKey is YTOZOEOPPKZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-5-7(4)9(8)6(2)3/h6-8H,5H2,1-4H3/q-1.
What are the key properties of [butan-2-yl(propan-2-yl)amino]azanide?
[butan-2-yl(propan-2-yl)amino]azanide has a molecular weight of 129.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl(propan-2-yl)amino]azanide is sourced from PubChem (CID 163691256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).