N',N',2,2-tetrakis-decylpropane-1,3-diamine

C43H90N2 — CID 151621553

IUPACN',N',2,2-tetrakis-decylpropane-1,3-diamine
SMILESCCCCCCCCCCN(CCCCCCCCCC)CC(CN)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C43H90N2/c1-5-9-13-17-21-25-29-33-37-43(41-44,38-34-30-26-22-18-14-10-6-2)42-45(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h5-42,44H2,1-4H3
InChIKeyQOPQRWSYOYYKQC-UHFFFAOYSA-N
MW635.21 g/mol
LogP14.58
Rot. Bonds39

About N',N',2,2-tetrakis-decylpropane-1,3-diamine

N',N',2,2-tetrakis-decylpropane-1,3-diamine (PubChem CID 151621553) has the molecular formula C43H90N2 and a molecular weight of 635.21 g/mol. Its IUPAC name is N',N',2,2-tetrakis-decylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N',2,2-tetrakis-decylpropane-1,3-diamine
PubChem CID151621553
Molecular FormulaC43H90N2
Molecular Weight635.21 g/mol
Exact Mass634.71
IUPAC NameN',N',2,2-tetrakis-decylpropane-1,3-diamine
SMILESCCCCCCCCCCN(CCCCCCCCCC)CC(CN)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C43H90N2/c1-5-9-13-17-21-25-29-33-37-43(41-44,38-34-30-26-22-18-14-10-6-2)42-45(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h5-42,44H2,1-4H3
InChIKeyQOPQRWSYOYYKQC-UHFFFAOYSA-N
XLogP14.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds39
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.21
LogP ≤ 514.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
2-butyl-2-ethyldodecan-1-amine
CID 55195465
2-(aminomethyl)-2-tetradecylpropane-1,3-diol
CID 139977748
N'-butyl-N',2,2-triethylpropane-1,3-diamine
CID 62262666
N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
CID 6426420
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
N,N-dipentyltridecan-1-amine
CID 139723521
6,6-dipentylpentadecane
CID 152650171
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898

Frequently Asked Questions

What is the IUPAC name of N',N',2,2-tetrakis-decylpropane-1,3-diamine?
The IUPAC name of N',N',2,2-tetrakis-decylpropane-1,3-diamine (CID 151621553) is N',N',2,2-tetrakis-decylpropane-1,3-diamine.
What is the SMILES notation for N',N',2,2-tetrakis-decylpropane-1,3-diamine?
The canonical SMILES for N',N',2,2-tetrakis-decylpropane-1,3-diamine is CCCCCCCCCCN(CCCCCCCCCC)CC(CN)(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of N',N',2,2-tetrakis-decylpropane-1,3-diamine?
The InChIKey is QOPQRWSYOYYKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H90N2/c1-5-9-13-17-21-25-29-33-37-43(41-44,38-34-30-26-22-18-14-10-6-2)42-45(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h5-42,44H2,1-4H3.
What are the key properties of N',N',2,2-tetrakis-decylpropane-1,3-diamine?
N',N',2,2-tetrakis-decylpropane-1,3-diamine has a molecular weight of 635.21 g/mol, XLogP of 14.58, 39 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',2,2-tetrakis-decylpropane-1,3-diamine is sourced from PubChem (CID 151621553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).