N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine

C8H16N6 — CID 107041799

IUPACN'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCn1nnc(CN(CCN)C2CC2)n1
InChIInChI=1S/C8H16N6/c1-13-11-8(10-12-13)6-14(5-4-9)7-2-3-7/h7H,2-6,9H2,1H3
InChIKeyCERDYCGKNAQCJO-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.87
Rot. Bonds5

About N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 107041799) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID107041799
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC NameN'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCn1nnc(CN(CCN)C2CC2)n1
InChIInChI=1S/C8H16N6/c1-13-11-8(10-12-13)6-14(5-4-9)7-2-3-7/h7H,2-6,9H2,1H3
InChIKeyCERDYCGKNAQCJO-UHFFFAOYSA-N
XLogP-0.87
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine
CID 107053979
3-[cyclopropyl-[(2-methyltetrazol-5-yl)methyl]amino]propanethioamide
CID 107042942
N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine
CID 107053953
2-[cyclopentyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052538
N'-cyclopropyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866808
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
CID 102875201
2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052530
2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 107054322
2-chloro-N-cyclooctyl-N-[(2-methyltetrazol-5-yl)methyl]acetamide
CID 154879431
N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875207
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (CID 107041799) is N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is Cn1nnc(CN(CCN)C2CC2)n1.
What is the InChIKey of N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is CERDYCGKNAQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-13-11-8(10-12-13)6-14(5-4-9)7-2-3-7/h7H,2-6,9H2,1H3.
What are the key properties of N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 196.26 g/mol, XLogP of -0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107041799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).