N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine

C13H30N2 — CID 62462801

IUPACN-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(CNC(C)C)CN(C)CC(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)14-8-12(3)9-15(7)10-13(4,5)6/h11-12,14H,8-10H2,1-7H3
InChIKeyCZCXRPNBEKKUQO-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.60
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine

N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62462801) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62462801
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(CNC(C)C)CN(C)CC(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)14-8-12(3)9-15(7)10-13(4,5)6/h11-12,14H,8-10H2,1-7H3
InChIKeyCZCXRPNBEKKUQO-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 62462801) is N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine is CC(CNC(C)C)CN(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CZCXRPNBEKKUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-11(2)14-8-12(3)9-15(7)10-13(4,5)6/h11-12,14H,8-10H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62462801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).