1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine

C22H50N4 — CID 139332324

IUPAC1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine
SMILESCC(C)(N)CC(C)(C)NCC(C)(C)CC(C)(C)NC(C)(C)CC(C)(C)N
InChIInChI=1S/C22H50N4/c1-17(2,16-25-20(7,8)14-18(3,4)23)13-21(9,10)26-22(11,12)15-19(5,6)24/h25-26H,13-16,23-24H2,1-12H3
InChIKeyQRYYNJIZKVFJLK-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.17
Rot. Bonds11

About 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine

1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine (PubChem CID 139332324) has the molecular formula C22H50N4 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine
PubChem CID139332324
Molecular FormulaC22H50N4
Molecular Weight370.67 g/mol
Exact Mass370.40
IUPAC Name1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine
SMILESCC(C)(N)CC(C)(C)NCC(C)(C)CC(C)(C)NC(C)(C)CC(C)(C)N
InChIInChI=1S/C22H50N4/c1-17(2,16-25-20(7,8)14-18(3,4)23)13-21(9,10)26-22(11,12)15-19(5,6)24/h25-26H,13-16,23-24H2,1-12H3
InChIKeyQRYYNJIZKVFJLK-UHFFFAOYSA-N
XLogP4.17
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine (CID 139332324) is 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine is CC(C)(N)CC(C)(C)NCC(C)(C)CC(C)(C)NC(C)(C)CC(C)(C)N.
What is the InChIKey of 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine?
The InChIKey is QRYYNJIZKVFJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N4/c1-17(2,16-25-20(7,8)14-18(3,4)23)13-21(9,10)26-22(11,12)15-19(5,6)24/h25-26H,13-16,23-24H2,1-12H3.
What are the key properties of 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine?
1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine has a molecular weight of 370.67 g/mol, XLogP of 4.17, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethylpentane-1,4-diamine is sourced from PubChem (CID 139332324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).