N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine

C37H78N2 — CID 135274509

IUPACN,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine
SMILESCC(C)CC(CN(CC(CC(C)C)C(C)C)CN(CC(CC(C)C)C(C)C)CC(CC(C)C)C(C)C)C(C)C
InChIInChI=1S/C37H78N2/c1-26(2)17-34(30(9)10)21-38(22-35(31(11)12)18-27(3)4)25-39(23-36(32(13)14)19-28(5)6)24-37(33(15)16)20-29(7)8/h26-37H,17-25H2,1-16H3
InChIKeyPWONGMSFLCUARI-UHFFFAOYSA-N
MW551.05 g/mol
LogP10.82
Rot. Bonds22

About N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine

N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine (PubChem CID 135274509) has the molecular formula C37H78N2 and a molecular weight of 551.05 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine
PubChem CID135274509
Molecular FormulaC37H78N2
Molecular Weight551.05 g/mol
Exact Mass550.62
IUPAC NameN,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine
SMILESCC(C)CC(CN(CC(CC(C)C)C(C)C)CN(CC(CC(C)C)C(C)C)CC(CC(C)C)C(C)C)C(C)C
InChIInChI=1S/C37H78N2/c1-26(2)17-34(30(9)10)21-38(22-35(31(11)12)18-27(3)4)25-39(23-36(32(13)14)19-28(5)6)24-37(33(15)16)20-29(7)8/h26-37H,17-25H2,1-16H3
InChIKeyPWONGMSFLCUARI-UHFFFAOYSA-N
XLogP10.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.05
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine?
The IUPAC name of N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine (CID 135274509) is N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine.
What is the SMILES notation for N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine?
The canonical SMILES for N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine is CC(C)CC(CN(CC(CC(C)C)C(C)C)CN(CC(CC(C)C)C(C)C)CC(CC(C)C)C(C)C)C(C)C.
What is the InChIKey of N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine?
The InChIKey is PWONGMSFLCUARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H78N2/c1-26(2)17-34(30(9)10)21-38(22-35(31(11)12)18-27(3)4)25-39(23-36(32(13)14)19-28(5)6)24-37(33(15)16)20-29(7)8/h26-37H,17-25H2,1-16H3.
What are the key properties of N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine?
N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine has a molecular weight of 551.05 g/mol, XLogP of 10.82, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(4-methyl-2-propan-2-ylpentyl)methanediamine is sourced from PubChem (CID 135274509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).