N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine

C13H28N2 — CID 65232709

IUPACN'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(CC1CC1)C(C)C
InChIInChI=1S/C13H28N2/c1-4-5-13(8-14)10-15(11(2)3)9-12-6-7-12/h11-13H,4-10,14H2,1-3H3
InChIKeySJYFJASETLOYLI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds8

About N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine

N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine (PubChem CID 65232709) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
PubChem CID65232709
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(CC1CC1)C(C)C
InChIInChI=1S/C13H28N2/c1-4-5-13(8-14)10-15(11(2)3)9-12-6-7-12/h11-13H,4-10,14H2,1-3H3
InChIKeySJYFJASETLOYLI-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine (CID 65232709) is N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine is CCCC(CN)CN(CC1CC1)C(C)C.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The InChIKey is SJYFJASETLOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-5-13(8-14)10-15(11(2)3)9-12-6-7-12/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 65232709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).