2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine

C12H30N4 — CID 87494443

IUPAC2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)N(C(C)(C)CN)C(C)(C)CN
InChIInChI=1S/C12H30N4/c1-10(2,7-13)16(11(3,4)8-14)12(5,6)9-15/h7-9,13-15H2,1-6H3
InChIKeyBYWHZRPAQNAXJA-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.50
Rot. Bonds6

About 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine

2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine (PubChem CID 87494443) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine
PubChem CID87494443
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)N(C(C)(C)CN)C(C)(C)CN
InChIInChI=1S/C12H30N4/c1-10(2,7-13)16(11(3,4)8-14)12(5,6)9-15/h7-9,13-15H2,1-6H3
InChIKeyBYWHZRPAQNAXJA-UHFFFAOYSA-N
XLogP0.50
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine (CID 87494443) is 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine is CC(C)(CN)N(C(C)(C)CN)C(C)(C)CN.
What is the InChIKey of 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine?
The InChIKey is BYWHZRPAQNAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-10(2,7-13)16(11(3,4)8-14)12(5,6)9-15/h7-9,13-15H2,1-6H3.
What are the key properties of 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine?
2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 87494443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).